Chemical Formula | C9H6F3NO3S |
Molecular Weight | 265.21 |
Appearance | Solid (predicted) |
Boiling Point | 314.7±42.0 °C at 760 mmHg (predicted) |
Density | 1.493±0.06 g/cm3 at 20 °C (predicted) |
Vapor Pressure | 0.0±0.7 mmHg at 25 °C (predicted) |
Logp | 2.12 (predicted) |
Solubility | Soluble in organic solvents like dichloromethane, chloroform (predicted) |
What are the physical properties of 2-thiophenecarboxylic acid, 3- [ (2,2,2-trifluoroacetyl) amino] -, methyl ester
3 - [ (2,2,2 -trifluoroacetyl) amino] -2 -thiophenecarboxylate methyl ester, this is an organic compound. Its physical properties are quite characteristic, let me tell you in detail.
Looking at its appearance, it is often in the form of white to off-white solid powder. This form is easy to store and use, and in many experimental and industrial production links, such solid substances are easier to handle.
When it comes to melting point, after accurate determination, it is about a certain temperature range. This melting point characteristic is crucial for identifying the compound and controlling its production and processing process. The stability of the melting point can reflect the purity of the compound. If the purity is high, the melting point is more accurate and the melting range is narrow; if it contains impurities, the melting point will be shifted and the melting range will be wider.
In terms of solubility, it exhibits a certain solubility in organic solvents such as ethanol and dichloromethane. This characteristic makes it possible to choose a suitable organic solvent as the reaction medium in the organic synthesis reaction, so that the compound can be fully dispersed and effectively contacted with other reactants to promote the smooth progress of the reaction. However, the solubility in water is very small, which is closely related to the hydrophobic groups contained in the molecular structure of the compound.
Its density is also one of the important physical properties. Under specific conditions, it has a certain density value. The density affects the distribution and behavior of the compound in different systems. When it comes to operations such as liquid-liquid separation or mixing, density is a key factor to consider.
In addition, the stability of the compound is good under normal conditions, but under extreme conditions such as strong acids, strong bases or high temperatures, chemical reactions may occur, resulting in structural changes. Knowing this stability characteristic, when storing and using the compound, appropriate protective measures can be taken to avoid its deterioration and ensure that its chemical properties and functions are not affected. In short, these physical properties are interrelated and are of great significance for the application of the compound in scientific research, production and other fields.
What are the chemical properties of 2-thiophenecarboxylic acid, 3- [ (2,2,2-trifluoroacetyl) amino] -, methyl ester
3 - [ (2,2,2 -trifluoroacetyl) amino] -2 -thiophene carboxylic acid methyl ester, this compound has unique chemical properties. Its appearance is often a crystalline solid, and it shows specific physical properties due to the structure of thiophene ring, amino group and ester group.
From the perspective of chemical activity, thiophene ring is aromatic and can participate in electrophilic substitution reactions, such as halogenation, sulfonation, etc. The electron cloud distribution on the ring makes the reaction check point selective. Under certain conditions, the reaction easily occurs at a specific position in the thiophene ring.
The nitrogen atom in the amino group contains lone pairs of electrons, which is basic and can react with acids to form salts. And because the amino group is attached to the thiophene ring, it is affected by the ring electron effect, and the alkalinity is different from that of ordinary aliphatic amines.
Ester-COOCH can undergo hydrolysis reaction, and under the catalysis of acid or base, the corresponding carboxylic acid and methanol are generated. Base-catalyzed hydrolysis is more thorough, resulting in carboxylate and methanol.
In addition, many fluorine atoms in the trifluoroacetyl group have strong electronegativity, which has a strong electron-absorbing induction effect, affects the electron cloud density of surrounding groups, changes the chemical activity and physical properties of compounds, such as changing the polarity of molecules, affecting their solubility in different solvents. Its existence also has a significant impact on reaction selectivity and activity, and plays a guiding or activating role in some reactions.
What is the main use of 2-thiophenecarboxylic acid, 3- [ (2,2,2-trifluoroacetyl) amino] -, methyl ester
3 - [ (2,2,2 -trifluoroacetyl) amino] -2 -thiophene carboxylic acid methyl ester, this substance has a wide range of uses. In the field of medicine, it is often used as a key intermediate to help synthesize many specific drugs. Due to the unique structure of thiophene and trifluoroacetamide, it endows drugs with specific biological activities and pharmacological properties. For example, when developing antiviral and anti-tumor drugs, this is the basis for building molecular structures, which may enhance the affinity and inhibitory effect of drugs on specific targets, providing strong support for overcoming related diseases.
In the field of materials science, it may be involved in the preparation of functional materials. Due to its structure containing special functional groups, through specific chemical reactions, or can be integrated into polymer materials, the material is endowed with special properties such as fluorescence and conductivity, and is used to manufacture advanced materials such as organic Light Emitting Diodes and sensors.
In organic synthetic chemistry, it is an important synthetic building block. With its diverse reaction check points, chemists can modify and expand it through various organic reactions, synthesize organic compounds with complex structures and specific uses, enrich the library of organic compounds, and promote the development of organic synthetic chemistry. In short, 3 - [ (2,2,2-trifluoroacetyl) amino] -2 -thiophene carboxylic acid methyl ester plays an important role in many fields and is of great significance to the progress of related fields.
What are the synthesis methods of 2-thiophenecarboxylic acid, 3- [ (2,2,2-trifluoroacetyl) amino] -, methyl ester
The synthesis of methyl 3- [ (2,2,2-trifluoroacetyl) amino] -2-thiophene carboxylate is an important research in the field of organic synthesis. Its synthesis follows several paths.
One of them can be started from 2-thiophenecarboxylic acid. First, under appropriate reaction conditions, the reaction of 2-thiophenecarboxylic acid with thionyl chloride and other reagents is converted into 2-thiophenecarboxylic chloride. This step requires attention to the reaction temperature and reagent ratio to prevent side reactions from breeding. Then, 2-thiophenoformyl chloride and compounds containing (2,2,2-trifluoroacetyl) amino groups are condensed in the presence of suitable bases. Commonly used bases such as triethylamine and pyridine, etc. In this condensation reaction, the reaction conditions are precisely controlled to obtain higher yield target products.
Second, thiophene can also be used. First, the carboxyl-related group is introduced at the 2-position of thiophene through a specific substitution reaction, such as by halogenation reaction, and then the carboxyl group is introduced through cyanohydrolysis. Later, the (2,2,2-trifluoroacetyl) amino group is introduced at the 3-position while the carboxyl group is converted to methyl ester. In this process, it is crucial to control the conditions of each step of the reaction. The selectivity of the halogenation reaction, the degree of cyanohydrolysis, and the subsequent reactivity of the introduction of amino groups will all affect the yield and purity of the final product.
Or, other suitable starting materials can be selected to construct the target molecular structure through multi-step organic reactions. In this process, many factors such as the availability of raw materials, the complexity of the reaction steps, the mildness of the reaction conditions, and the yield need to be comprehensively considered. Each step of the reaction requires fine regulation, from the selection of reagents, the determination of the dosage, to the control of the reaction temperature and time, all of which are related to the success or failure of the final synthesis. Methyl 3- [ (2,2,2-trifluoroacetyl) amino] -2-thiophene carboxylate can be synthesized with high efficiency and purity only by carefully planning the synthesis route and strictly controlling each reaction link.
2-thiophenecarboxylic acid, 3- [ (2,2,2-trifluoroacetyl) amino] -, methyl ester What to pay attention to when storing and transporting
Methyl 3 - [ (2,2,2 -trifluoroacetyl) amino] -2 -thiophenecarboxylate, this is a chemical substance, when storing and transporting, be careful.
Store first. Because it may be chemically active, it must be placed in a cool, dry and well-ventilated place. If the environment is hot, or the properties of the substance are mutated, such as deliquescence, chemical reaction with water vapor, etc., it will damage its quality. And it should be kept away from fire and heat sources to prevent the risk of fire or explosion. Because of its flammability, it is dangerous to encounter open flames and hot topics. It also needs to be stored separately from oxidizing agents, acids, alkalis, etc. These substances are in contact with them and are prone to chemical reactions, causing them to deteriorate or cause accidents. Be sure to use sealed containers for storage, which can not only prevent its volatilization and escape, but also avoid the intrusion of external substances.
As for transportation, there are also many precautions. Transportation vehicles should be equipped with corresponding varieties and quantities of fire fighting equipment and leakage emergency treatment equipment to prevent accidents. In summer, it is recommended to transport in the morning and evening to avoid high temperature periods, because high temperature can increase the risk of material volatilization and reaction. During transportation, make sure that the container does not leak, collapse, fall, or damage. When handling, it should be handled lightly. It is strictly forbidden to drop and heavy pressure, and prevent packaging damage and material leakage. And the transportation should be carried out according to the specified route, and do not stay in densely populated areas and places with open flames to ensure public safety.