What is the chemical structure of ethyl 2- ((2,6-difluorobenzyl) (isobutoxycarbonyl) amino) -4-methyl-5- (4-nitrophenyl) thiophene-3-carboxylate?

This is the name of an organic compound. In order to know its chemical structure, it is necessary to disassemble and analyze it according to the naming rules. "Ethyl" is ethyl, which is a common alkyl group in organic chemistry, and its structure is -CH < unk > CH < unk >. " 2- ((2,6 - difluorobenzyl) (isobutoxycarbonyl) amino) -4 - methyl - 5- (4 - nitrophenyl) thiophene - 3 - carboxylate "," 2 - "indicates the position of the substituent;" (2,6 - difluorobenzyl) "," 2,6 - difluorobenzyl ", benzyl is benzyl-CH -2 - connected to the benzene ring, 2,6 - difluoro indicates that the benzene ring has fluorine atom substitution at the 2,6 position;" (isobutoxycarbonyl) ", isobutoxycarbonyl, the isobutoxycarbonyl structure is (CH < unk >) CH < unk > O -, connected to carbonyl-C (= O) -;" amino "is Amino-NH-; "4-methyl" means that the 4-position is substituted with methyl-CH < unk >; "5- (4-nitrophenyl) ", the 5-position is connected with 4-nitrophenyl group, and the 4-nitrophenyl group is a benzene ring with nitro-NO < unk > substitution; "thiophene-3-carboxylate", thiophene-3-carboxylate, thiophene is a sulfur-containing five-membered heterocycle, and 3-carboxylate means that the 3-position is connected with carboxylate-COO < unk >. Overall, the structural core of this compound is a thiophene ring, and the 2-position is connected with 2,6-difluorobenzyl and isobutoxycarbonyl by amino group, the 4-position is methyl, the 5-position is connected with 4-nitrophenyl group, and the 3-position is carboxylic acid ethyl ester-COOCH < unk > CH < unk

What are the physical properties of ethyl 2- ((2,6-difluorobenzyl) (isobutoxycarbonyl) amino) -4-methyl-5- (4-nitrophenyl) thiophene-3-carboxylate?

Ethyl 2- ((2,6-difluorobenzyl) (isobutoxycarbonyl) amino) -4-methyl-5- (4-nitrophenyl) thiophene-3-carboxylate is an organic compound. Its physical properties can be discussed from the following aspects.

Looking at its appearance, such organic compounds are often crystalline solids, which are arranged in an orderly manner due to intermolecular forces. However, to determine its specific appearance, it is necessary to actually observe or consult relevant experimental records.

Melting point is its important physical property. There are various interactions in the molecular structure of this compound, such as van der Waals force, hydrogen bonds, etc. The interactions between the groups cause the molecules to be closely arranged, and specific energy is required to break the lattice and cause it to melt. The exact melting point needs to be determined experimentally, but generally speaking, the melting point range of complex organic compounds is between tens of degrees Celsius and hundreds of degrees Celsius.

In terms of solubility, its molecules contain polar and non-polar parts. Ethoxy, carbonyl and nitro groups have certain polarities, while benzene, thiophene and alkyl groups are non-polar parts. In organic solvents, such as dichloromethane, chloroform and other non-polar or weakly polar solvents, because the non-polar part can interact with the solvent molecules through van der Waals forces, it has a certain solubility. However, in water, because the overall polarity is not enough to form a strong interaction with water molecules, the solubility is not good.

Density is related to molecular mass and volume. The molecular structure of this compound is complex, containing multiple atoms and groups, and the molecular weight is large. At the same time, the arrangement of atomic space also affects its density. Theoretically, its density may be similar to that of common organic compounds, mostly between 0.9 and 1.5 g/cm ³, but the exact value needs to be accurately measured experimentally.

In addition, the volatility of this compound is low. Due to its strong intermolecular forces, it is difficult for molecules to escape from the liquid surface to form gas molecules. This makes it stable in liquid or solid state at room temperature and pressure, and it is not easy to volatilize into the air.

What are the main uses of ethyl 2- ((2,6-difluorobenzyl) (isobutoxycarbonyl) amino) -4-methyl-5- (4-nitrophenyl) thiophene-3-carboxylate?

Ethyl 2- ((2,6-difluorobenzyl) (isobutoxycarbonyl) amino) -4-methyl-5- (4-nitrophenyl) thiophene-3-carboxylate is an organic compound. It has a wide range of uses and is often used as a key intermediate in the field of medicinal chemistry. Due to its specific molecular structure, it can be chemically modified to construct molecules with specific biological activities, or used to develop new drugs for specific diseases.

In the field of materials science, such compounds may be used in the preparation of organic optoelectronic materials due to their unique electronic properties and structures. In fields such as Light Organic Emitting Diode (OLED) or organic solar cells, its structural characteristics may help improve the photoelectric properties of materials, such as improving charge transfer efficiency and enhancing luminous efficiency. < Br >
In the field of organic synthetic chemistry, it can be used as an important starting material or intermediate to participate in the construction of a series of complex organic molecules. Chemists expand the complexity and diversity of molecules by performing various reactions on their functional groups, such as substitution reactions, addition reactions, etc., and then synthesize organic compounds with special structures and functions.

With its unique chemical structure, this compound has shown potential application value in many scientific fields, providing key material bases and research directions for new drug research and development, new material creation, and many other aspects.

What is the synthesis method of ethyl 2- ((2,6-difluorobenzyl) (isobutoxycarbonyl) amino) -4-methyl-5- (4-nitrophenyl) thiophene-3-carboxylate?

To prepare ethyl 2- ((2,6-difluorobenzyl) (isobutoxycarbonyl) amino) -4-methyl-5- (4-nitrophenyl) thiophene-3-carboxylate, the method is as follows:

First, take 2,6-difluorobenzyl amine and place it in a suitable reaction vessel protected by an inert gas such as nitrogen. Then, slowly add the isobutoxycarbonyl chloride and stir at a low temperature environment, such as 0-5 ° C. This step is to form an intermediate of (2,6-difluorobenzyl) (isobutoxycarbonyl) amine. The reaction should be closely monitored by thin-layer chromatography (TLC). When the raw material 2,6-difluorobenzyl amine is exhausted, it is the end point of the reaction.

times, the obtained intermediate is mixed with 2-bromo-4-methyl-5- (4-nitrophenyl) thiophene-3-carboxylate ethyl ester, and an appropriate amount of base, such as potassium carbonate, is added. With a suitable organic solvent, such as N, N-dimethylformamide (DMF) as the reaction medium, heat up to 80-100 ° C, and continue to stir the reaction. In this stage, the base can assist the nucleophilic substitution reaction of the intermediate with 2-bromo-4-methyl-5 - (4-nitrophenyl) thiophene-3-carboxylic acid ethyl ester. The reaction process also needs to be monitored by TLC until the raw material is reduced to undetectable and the reaction is stopped.

After the reaction is completed, the reaction solution is poured into ice water and extracted with ethyl acetate. The organic phase is washed with saturated salt water and dried with anhydrous sodium sulfate. After that, the organic solvent is removed by reduced pressure distillation to obtain a crude product. Then separated and purified by column chromatography, with a suitable eluent, such as a mixture of petroleum ether and ethyl acetate, eluted in a proportional layer to obtain pure ethyl 2- ((2,6 -difluorobenzyl) (isobutoxycarbonyl) amino) -4 -methyl-5- (4 -nitrophenyl) thiophene-3 -carboxylic acid ester. In this way, it becomes the method of synthesis.

Ethyl 2- ((2,6-difluorobenzyl) (isobutoxycarbonyl) amino) -4-methyl-5- (4-nitrophenyl) thiophene-3-carboxylate What are the precautions during use?

Ethyl 2 - ((2,6 -difluorobenzyl) (isobutoxycarbonyl) amino) -4 -methyl-5 - (4 -nitrophenyl) thiophene-3 -carboxylate This product, when using, many matters must not be ignored.

Bear the brunt, it is the most important safety. This product may be toxic, irritating, and can cause injury in contact with the skin and eyes. When operating, be sure to wear protective equipment, such as gloves, goggles, protective clothing, etc., to prevent accidents. In case of inadvertent contact, rinse with plenty of water immediately and seek medical attention.

Furthermore, the chemical properties need to be clarified. Its chemical activity and stability are related to the method of use. Under specific conditions, or reacts with other substances, dangerous products are formed. Therefore, before use, it is necessary to check its chemical properties carefully, understand the compatible substances, and avoid contraindicated combinations.

Storage should not be ignored. It should be placed in a cool, dry, well-ventilated place, away from fire and heat sources, and protected from direct sunlight. Due to its chemical properties, improper storage or deterioration, decomposition, affect utility, and even cause safety accidents.

Weighing and dosage are essential. According to experimental or production needs, accurate weighing is required to ensure that the dosage is correct. Too much or too little dosage can affect the reaction process and product quality.

In addition, the use environment should also be paid attention to. Keep the operating space well ventilated, discharge volatile gas in time, and prevent the accumulation of harmful gases. At the same time, follow relevant regulations and operating procedures, and do not act recklessly.

In short, the use of ethyl 2- ((2,6-difluorobenzyl) (isobutoxycarbonyl) amino) -4 -methyl-5- (4-nitrophenyl) thiophene-3-carboxylic acid ester, be careful, pay attention to safety, chemical properties, storage, dosage and environment, etc., in order to ensure smooth operation and avoid danger.