Tert-Butyl Cyanoacetate

Huihuang Chemical

Specifications

HS Code	723064
Chemical Formula	C7H11NO2
Molecular Weight	141.17 g/mol
Appearance	Colorless to light yellow liquid
Boiling Point	206 - 208 °C
Melting Point	-25 °C
Density	0.976 g/cm³ at 25 °C
Flash Point	87 °C
Solubility In Water	Insoluble
Solubility In Organic Solvents	Soluble in common organic solvents like ethanol, ether
Refractive Index	1.429 - 1.431 (20 °C)

Packing & Storage

Packing	1 kg of Tert - Butyl Cyanoacetate packaged in a sealed, corrosion - resistant container.
Storage	Tert - Butyl Cyanoacetate should be stored in a cool, dry, well - ventilated area, away from sources of ignition and heat. Keep it in a tightly sealed container to prevent evaporation and contact with air and moisture. Store it separately from oxidizing agents, acids, and bases to avoid potential reactions. Suitable storage temperature is typically around 2 - 8°C for long - term stability.
Shipping	Tert - Butyl Cyanoacetate is shipped in well - sealed, corrosion - resistant containers. Due to its nature as a chemical, it follows strict regulations, transported with proper labeling to ensure safe handling during transit.

Free Quote

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General Information

Historical Development

"The History of Tert-Butyl Cyanoacetate"
In the past, the chemical technology was not yet developed, and many of them were not caught in organic synthesis. However, the heart of a scholar, the exploration is not limited. The initial appearance of Tert-Butyl Cyanoacetate is the fruit of the research of many sages.
At that time, organic chemistry was gradually emerging, and the public wanted to expand the synthesis territory. Begin with a simple method to try to make this compound. At first, its yield was meager, and the quality was not yet good.
However, the years pass, and the chemical method is changing day by day. Researchers analyze its mechanism and change its process. From a simple method, it gradually becomes exquisite. The control of reaction conditions and the selection of raw materials have all been refined. Therefore, the yield of Tert-Butyl Cyanoacetate has gradually increased, and the quality has improved.
From the difficult creation in the past to the maturity of the process today, it has shown important performance in the fields of chemical industry and medicine. The evolution of this compound is the prosperity of the development of chemistry.

Product Overview

"Description"
Tert-Butyl Cyanoacetate is an important raw material for organic synthesis. It is a colorless to light yellow transparent liquid with a unique odor. The melting point of this compound is quite low, while the boiling point is relatively high, and it is stable at room temperature and pressure.
Its chemical properties are active, and cyanyl and ester groups give it a variety of reactivity. It can participate in many organic reactions, such as nucleophilic substitution, condensation, etc. It has a wide range of applications in pharmaceutical chemistry, materials science and other fields. In drug synthesis, it is often a key intermediate, helping to create new drug molecules. In material preparation, it can also play a unique role, providing the possibility for the synthesis of materials with special properties. Due to its unique structure and properties, it plays an important role in chemical research and industrial production.

Physical & Chemical Properties

Tert-Butyl Cyanoacetate is a compound commonly used in organic synthesis. Its physical properties are mostly colorless to light yellow liquid at room temperature, with a specific odor. Its boiling point is suitable, which is conducive to separation and purification operations. In terms of chemical properties, cyanyl and ester groups endow their unique reactivity. Cyanyl groups can participate in reactions such as nucleophilic addition, while ester groups can undergo hydrolysis, alcoholysis and other reactions. Because of its special physical and chemical properties, it is widely used in the fields of medicine, pesticides and other fields. In the construction of organic synthesis pathways, it is often used as a key intermediate. With its activity check point, complex organic molecular structures are constructed, which facilitates the efficient synthesis of many compounds.

Technical Specifications & Labeling

"Technical Specifications and Labels (Product Parameters) "
Tert - Butyl Cyanoacetate is the product of our painstaking research. Its technical specifications are related to the essence of the process. From the selection of raw materials, the best quality must be taken to ensure the purity of the foundation. The synthesis method requires precise steps, temperature control and timing, and there must be no mistakes. The reaction device must also be clean and sophisticated to avoid impurities.
As for the logo (product parameters), its appearance is clear, colorless and transparent, without the slightest variegation. The standard of purity, when it reaches a very high level, is indicated by numbers, accurate to the decimal place. The value of density, with exact measurement, conforms to the established standard. These two are the key to the logo, which shows the quality of the product, and the user can use it to evaluate its quality and use it in all the necessary places to achieve the required skills.

Preparation Method

"On the Preparation of Tert-butyl Cyanoacetate"
Tert-butyl cyanoacetate is an important material for organic synthesis. The preparation method is related to raw materials, production processes, reaction steps and catalytic mechanisms.
The raw materials are selected, cyanoacetic acid and tert-butyl alcohol are preferred. Sulfuric acid is used as a catalyst, and the two are mixed in a suitable reactor. First heat up to 60 degrees Celsius, stir well, this is the initial step.
During the reaction process, continue to stir, and the temperature gradually rises to 80 degrees Celsius to promote the full reaction of the two. After several hours, the reaction solution was light-colored and transparent.
After the reaction is completed, the excess sulfuric acid is neutralized in sodium bicarbonate solution, and then distilled and purified to remove the unreacted raw materials and by-products. Collect the fractions in a specific temperature range to obtain pure tert-butyl cyanoacetate. This preparation method has the characteristics of high efficiency and stability after many practices, and can provide reference for industrial production.

Chemical Reactions & Modifications

In today's research on Tert-Butyl Cyanoacetate, its reaction and change are quite critical. In the past, the reaction often encountered complicated conditions, and the yield was not high.
The reason is that the conditions are not good, the ratio of reactants may be wrong, and the catalytic agent is not exquisite. However, today's researchers have insight into the crux of the matter. Improve the conditions, precisely control the temperature, optimize the ratio of reactants, and find a more suitable catalyst.
After this change, the reaction rate has increased significantly, and the quality of the product is also good. The production of Tert-Butyl Cyanoacetate has made great progress compared with before. This is based on the deep understanding of the mechanism of chemical response, with scientific methods, changing the state of chemical response, and finally achieving good results. On the road of chemical production, a key step has been taken, paving the way for subsequent research and use.

Synonyms & Product Names

Tert-Butyl Cyanoacetate is a chemical product. Its different names and trade names can be obtained. In various literature, it may be called tert-butyl cyanoacetate, which is based on its chemical structure and naming rules, and is also a common alias.
As for the trade name, it is traded in the market, and the merchant may give another special name because of its characteristics and uses. However, the naming of chemical products requires regulations. Although the trade names are different, the root cause is that they all refer to this Tert-Butyl Cyanoacetate. Although different names and commodity names are different, they actually refer to the same quality. In chemical research, production, and trading, it is necessary to distinguish them to avoid confusion and errors.

Safety & Operational Standards

"Specifications for the Safety and Operation of Tert-Butyl Cyanoacetate"
The husband of Tert-Butyl Cyanoacetate is also a chemical product. It is related to safety and operation standards and must not be ignored.
For storage, it should be placed in a cool, dry and well-ventilated place. Keep away from fires and heat sources to prevent accidents. Cover this product in case of open flames, hot topics, or the risk of combustion and explosion. The storage place should be equipped with suitable materials to contain leaks.
When operating, be careful. Operators should be specially trained and strictly follow the operating procedures. It is recommended that operators wear self-priming filter gas masks (half masks), chemical safety glasses, anti-poison infiltration work clothes, and rubber oil-resistant gloves. Avoid contact with oxidants, reducing agents, acids, and alkalis.
If a leak occurs accidentally, quickly evacuate the personnel from the leaking contaminated area to the safe area and isolate them to strictly restrict access. Emergency personnel should wear self-contained positive pressure breathing apparatus and anti-poison clothing. Do not let the leak come into contact with combustible substances (such as wood, paper, oil, etc.). Small leakage: adsorb or absorb with sand or other non-combustible materials. It can also be rinsed with a lot of water, diluted with washing water, and placed into the wastewater system. Large leakage: build a dike or dig a pit for containment. Cover with foam to reduce steam disasters. Transfer to a tanker or dedicated collector with an explosion-proof pump for recycling or transportation to a waste disposal site.
In conclusion, the safety and operation of Tert-Butyl Cyanoacetate must be carried out in accordance with the above specifications to ensure safety.

Application Area

Tert - Butyl Cyanoacetate is also a chemical substance. Its application field is quite wide, and it is often a key raw material in the field of organic synthesis. For example, when preparing compounds with special structures, specific groups can be introduced to form the desired products. In the field of pharmaceutical synthesis, or participate in the construction of active ingredients of drugs, to help create novel drugs. In materials science, it may also be beneficial to the preparation of materials with specific properties, such as improving the stability and functionality of materials. With its own characteristics, it plays an important role in many application fields, providing assistance for the development of chemical research and related industries, and promoting the continuous evolution of related fields and opening up new frontiers.

Research & Development

Today there is Tert - Butyl Cyanoacetate, which is very relevant to my chemical research. We have dedicated ourselves to studying its properties, production methods and applications. After months of experiments, we have carefully observed its reaction mechanism, hoping to make innovative discoveries and expand its uses.
Observe its production method, try various paths, optimize the process, hope to increase the yield and reduce its cost. In the study of properties, its physical and chemical properties are clarified, and the foundation for subsequent applications is laid.
As for the application field, it is widely explored in medicine, materials, etc. It is hoped that its characteristics can be used to develop novel products and promote the development of the industry. We are committed to promoting the progress of Tert-Butyl Cyanoacetate with the spirit of research and pioneering, and contributing to the prosperity of the chemical field.

Toxicity Research

"Toxicity Research"
Today, the toxicity of Tert-Butyl Cyanoacetate is studied. It is a chemical product, which is related to industry and scientific research. To investigate its impact on living things in detail.
The toxicity of human substances is related to the survival and health of living beings. It may harm the body, or disrupt the physiological order. Tert-Butyl Cyanoacetate also needs to be carefully investigated to observe the changes it takes in living organisms and the state of diffusion between environments.
The initial study took animals as models to observe its state and changes in physiological indicators after ingesting this substance. It was also explored that its decomposition and migration in environmental media revealed its effect on surrounding ecology. We hope to obtain detailed evidence to understand its toxicity, and provide evidence for protection and utilization to preserve the safety of life and the environment.

Future Prospects

There is a thing today, called Tert-Butyl Cyanoacetate. Looking at its quality, it is unique, and in the field of chemical industry, it has infinite potential.
Looking to the future, its use may be wide. In the system of medicine, it can be used as a raw material to help the research of new drugs and solve the pain of the world; in the manufacture of materials, it can add new quality and make the material have excellent properties, and meet the needs of diversity.
Although the knowledge is limited at present, but with the advance of science and technology, the exploration of the hidden, it will shine. It will definitely be able to open up new frontiers, use it for the world, create unfinished business, create immeasurable work, and develop endless hope.

Frequently Asked Questions

What are the main uses of Tert-Butyl Cyanoacetate?

Tert-butyl cyanoacetate is a commonly used reagent in organic synthesis. It has a wide range of uses and is crucial in many organic reaction pathways.
First, in the field of drug synthesis, tert-butyl cyanoacetate is often an important intermediate. The preparation of drugs often requires the construction of a specific molecular structure. This compound can participate in the formation of key carbon-carbon bonds through a series of reactions and assist in the construction of complex drug molecular structures. For example, in the synthesis process of some anti-cancer drugs and cardiovascular drugs, tert-butyl cyanoacetate, with its special activity of cyanide and ester groups, is gradually converted according to the established reaction mechanism to provide the necessary structural fragments for the synthesis of target drug molecules.
Second, in the field of materials science, it can also be seen. In the preparation of polymer materials with special properties, tert-butyl cyanoacetate can be introduced as a monomer or reaction aid by taking advantage of its chemical properties. Its cyano and ester groups can participate in the polymerization reaction and affect the chain structure and properties of polymer materials, such as changing the solubility, thermal stability and mechanical properties of materials, so as to meet the special requirements of material properties in different application scenarios.
Furthermore, tert-butyl cyanoacetate also plays an important role in the synthesis of fine chemicals. The synthesis of fine chemicals such as fragrances and cosmetic additives often requires precise control of molecular structures and functional groups. This compound can be given a specific combination of functional groups to fine chemicals through carefully designed reaction steps to optimize the aroma, stability or other special properties of the product to meet the market demand for high-quality fine chemicals. In short, tert-butyl cyanoacetate is an indispensable material in many fields of organic synthesis, assisting in the efficient synthesis and performance optimization of various organic compounds.

What are the physical properties of Tert-Butyl Cyanoacetate?

Tert-Butyl Cyanoacetate (Tert-Butyl Cyanoacetate) is also an organic compound. Its physical properties are quite impressive.
Looking at its morphology, under normal temperature and pressure, it is mostly a colorless to light yellow transparent liquid. Its appearance is clear, like jade dew, without visible impurities to the naked eye. Its smell is slightly special fragrance, not pungent and intolerable, but it also has a unique smell, giving people a different experience in the sense of smell.
When the boiling point is discussed, it is between 187-189 ° C. When the temperature rises to this value, tert-butyl cyanoacetate gradually changes from liquid state to gaseous state, and undergoes a phase transformation. This boiling point characteristic is very important in chemical separation and purification operations. Workers can separate it from other substances by distillation according to its boiling point to obtain pure substances.
As for the melting point, it is about -17 ° C. When the ambient temperature drops to this value and below, the liquid tert-butyl cyanoacetate that originally flowed solidifies into a solid state, just like water turns into ice, and the form changes from a smooth liquid to a hard solid.
The density of tert-butyl cyanoacetate is about 0.932g/mL. This density value indicates that it is slightly lighter than water when compared with water. If it is placed in one place with water, it will float on the water. The boundaries between the two are clear, just like oil and water, immiscible.
In terms of solubility, it is soluble in organic solvents such as ethanol and ether. In such solvents, tert-butyl cyanoacetate can interact with solvent molecules and disperse uniformly to form a uniform mixed system. However, its solubility in water is not good. Due to the characteristics of molecular structure, it is difficult to get along with water molecules, so it is mostly in a layered state in water.
The physical properties of tert-butyl cyanoacetate mentioned above are the key basis in many fields such as organic synthesis and chemical production, and cannot be ignored by chemical industry operators.

Is Tert-Butyl Cyanoacetate Chemically Stable?

Tert-butyl cyanoacetate is a commonly used reagent in organic synthesis. In terms of its chemical properties, its stability is quite elegant.
Under normal conditions, tert-butyl cyanoacetate is still stable. In its molecular structure, tert-butyl cyanoacetate has a certain steric resistance effect, which can protect the ester group and cyanide group connected to it to a certain extent. In the ester group, the conjugation effect of carbon and oxygen double bonds and oxygen atoms makes the electron cloud distribution relatively stable. As a strong electron-absorbing group, cyanide group may have an impact on the surrounding electron cloud, but in the overall structure, it interacts with tert-butyl and ester groups, which maintains a certain stability of the molecular structure.
However, it should be noted that the stability of tert-butyl cyanoacetate will be affected under specific conditions. For example, in a strong acid or strong base environment, the ester group is prone to hydrolysis. Under strong acid, protons will attack the carbonyl oxygen atom of the ester group, causing the electron cloud density to change, which in turn prompts the ester bond to break, resulting in the formation of corresponding carboxylic acids and alcohols; in a strong base environment, hydroxide ions attack the carbonyl carbon atom nucleophilically, which will also trigger ester hydrolysis.
In addition, high temperature is also an important factor affecting its stability. High temperature will intensify the thermal motion of molecules, increase the energy of chemical bonds, weaken the stability of chemical bonds, and may lead to reactions such as molecular decomposition or rearrangement.
When storing and using tert-butyl cyanoacetate, it is necessary to follow the standard operation, store it in a cool, dry and well-ventilated place, away from acid and alkali and high temperature environments, so as to ensure the stability of its chemical properties and avoid the reaction caused by improper conditions, which will affect the use effect and safety.

What is the preparation method of Tert-Butyl Cyanoacetate?

The method of preparing tert-butyl cyanoacetate requires the esterification reaction of cyanoacetic acid and tert-butyl alcohol as raw materials. In this process, a suitable catalyst is required to make the reaction proceed smoothly.
First take an appropriate amount of cyanoacetic acid and place it in a clean reaction vessel. Then, add tert-butyl alcohol in a certain proportion. The catalyst can be selected from sulfuric acid, p-toluenesulfonic acid, etc., and add an appropriate amount to the reaction system. The reaction usually needs to be carried out under heating conditions, which can be heated in an oil bath or a water bath to maintain the reaction temperature in an appropriate range, usually between 80 and 120 degrees Celsius.
When reacting, continue to stir to promote full contact of the reactants and speed up the reaction rate. As the reaction progresses, the resulting water can be removed by azeotropic distillation and other methods, so that the reaction equilibrium moves in the direction of forming tert-butyl cyanoacetate.
When the reaction reaches the desired degree, the reaction liquid is cooled. After that, it needs to go through a neutralization step to neutralize the excess catalyst with sodium bicarbonate solution. Then perform liquid separation operation to separate the organic phase. The organic phase is dried with a desiccant such as anhydrous sodium sulfate to remove the remaining water.
Finally, by distillation, the fraction with a specific boiling point range is collected, which is the pure tert-butyl cyanoacetate. It should be noted that the entire preparation process should be carried out in a well-ventilated environment, and experimental safety procedures should be strictly followed to prevent accidents.

What are the precautions for Tert-Butyl Cyanoacetate in storage and transportation?

Tert-butyl cyanoacetate requires attention to many matters during storage and transportation. This is a dangerous chemical, which is related to personal safety and the environment, and must not be taken lightly.
When storing, be sure to choose a cool, dry and well-ventilated place. This substance is easy to decompose when heated, and may be dangerous if the temperature is too high. Therefore, it should be kept away from fire and heat sources, such as heating and furnaces, and should not be similar to it. Because it is sensitive to light, it should be stored in a dark place. You can choose a shading container or place it in a dark-proof warehouse.
Furthermore, the storage area should be separated from oxidizing agents, acids, and bases to avoid mixed storage to prevent chemical reactions and accidents. At the same time, the warehouse should be equipped with the corresponding variety and quantity of fire fighting equipment and leakage emergency treatment equipment to prevent accidents. The storage site needs to set up obvious warning signs to remind personnel to pay attention to safety.
During transportation, ensure that the container is sealed to prevent leakage. Transportation vehicles should have good ventilation equipment and drive according to the specified route, avoiding sensitive areas such as densely populated areas and water source protection areas. During transportation, escort personnel must pay close attention to the condition of the goods and must not leave the post without authorization. When loading and unloading, the operation should be light and light, and it is strictly forbidden to drop and heavy pressure to prevent damage to the container.
In addition, personnel involved in storage and transportation must undergo professional training to familiarize themselves with the properties, hazards, and emergency treatment methods of tert-butyl cyanoacetate, so as to ensure the safety of the storage and transportation process.