What is the chemical structure of Methyl 4-methyl-3- [ (N-propylalanyl) amino] thiophene-2-carboxylate

"Methyl + 4 - methyl - 3 - [ (N - propylalanyl) amino] thiophene - 2 - carboxylate" is the formula of organic chemical nomenclature. To clarify its chemical structure, it is necessary to follow the rules of organic chemical nomenclature.

"Methyl" indicates that this compound contains a methoxy group ($CH_3O - $), which is one of the ester groups. The suffix "-yl" is often connected to a functional group, where the methoxy group is connected to the ester group.

"4 - methyl", the fourth position of the thiophene ring is substituted by methyl ($- CH_3 $). The thiophene is a sulfur-containing five-membered heterocyclic compound with special aromatic properties.

In "3 - [ (N - propylalanyl) amino]", " (N - propylalanyl) " is a complex substituent. Alanyl is an acyl group derived from alanine, and its structure contains an amide bond formed by dehydration and condensation of the amino group and the carboxyl group. The nitrogen atom of the "N - propyl" shows that the alanyl group is connected with a propyl group ($- C_3H_7 $). The whole substituent is connected to the 3rd position of the thiophene ring and is connected by an amide bond, that is, the nitrogen atom is connected to the 3rd position of the carbon atom of the thiophene ring.

"Thiophene-2-carboxylate" shows that the second position of the thiophene ring is connected with a carboxylic acid ester group ($- COO - $), and the first "Methyl" is combined to form a complete carboxylic acid methyl ester structure.

In summary, the structure of this compound is based on a thiophene ring as the core, a carboxylic acid methyl ester group at the 2nd position, a propyl-containing alanyl amino group at the 3rd position through amide bonding, and a methyl substitution at the 4th position. Its complex and delicate structure and the interaction of functional groups give this compound unique chemical properties and potential application value.

What are the physical properties of Methyl 4-methyl-3- [ (N-propylalanyl) amino] thiophene-2-carboxylate

Methyl 4-methyl-3- [ (N-propylalanyl) amino] thiophene-2-carboxylic acid ester is also an organic compound. The physical properties of this compound are very important, and it is related to its application in many fields.

First of all, its properties are usually solid, due to the force between molecules. Its melting point is one of the key indicators to distinguish its purity and characteristics. It is rare to know the exact melting point value, but it can be inferred that various groups in the molecular structure interact, resulting in its melting point or within a certain range. The structure of methyl, propyl and thiophene rings affects the molecular accumulation and interaction force.

Furthermore, in terms of its solubility, in organic solvents, its solubility may be different. For example, common organic solvents such as ethanol and acetone may be slightly soluble in organic solvents such as ethanol because their molecules contain polar and non-polar parts, and the polar carboxyl ester part and the amino part may interact with polar organic solvents to a certain extent. However, its non-polar thiophene ring and alkyl part make it insoluble in water, because water is a strong polar solvent and interacts weakly with the non-polar part of the compound.

Looking at its density, although there is no conclusive data, according to its molecular structure and similar compound laws, its density may be similar to that of common organic compounds. The relative mass and spatial arrangement of carbon, hydrogen, oxygen, nitrogen, sulfur and other atoms in a molecule jointly affect its density. Due to the sulfur atoms, the relative atomic mass is larger, or its density is slightly higher than that of simple organic compounds containing only carbon, hydrogen and oxygen.

In addition, the stability of this compound is also an important physical property. The thiophene ring in the molecule has certain aromatic properties and can provide certain stability. However, the amino group and the carboxyl ester part may react under specific conditions, such as in an acidic or alkaline environment, the ester group can be hydrolyzed, the amino group can be protonated or participate in other nucleophilic reactions, which all affect its stability. In conclusion, the physical properties of methyl 4-methyl-3- [ (N-propylalanyl) amino] thiophene-2-carboxylic acid esters are affected by the synergy of various groups in the molecular structure, and they exhibit different characteristics under different conditions. This is of great significance in the study of its synthesis, separation, storage and application.

What is the main use of Methyl 4-methyl-3- [ (N-propylalanyl) amino] thiophene-2-carboxylate

Methyl 4-methyl-3- [ (N-propylalanyl) amino] thiophene-2-carboxylic acid ester is a key compound in the field of organic chemistry. It has shown important uses in many fields.

In the field of medicinal chemistry, its unique structure or potential biological activity can act as a lead compound. Researchers can develop drugs with novel therapeutic effects by modifying and optimizing its structure. For example, by fine-tuning the structure of the N-propylalanyl base, or changing the substituents on the thiophene ring, or affecting the interaction of the compound with specific biological targets, the efficacy and selectivity of the drug can be improved.

In the field of materials science, the compound may play a role in the synthesis of materials with special properties due to its specific molecular structure and properties. Its thiophene structural unit may endow the material with unique electrical and optical properties. For example, by introducing it into polymer structures, materials with special photoelectric properties can be prepared for use in organic Light Emitting Diodes (OLEDs), solar cells and other optoelectronic devices to improve the performance of these devices.

In addition, in the field of organic synthetic chemistry, this compound can be used as a key intermediate for the synthesis of more complex organic molecules. The multiple functional groups it contains, such as ester groups and amino groups, provide rich possibilities for further organic reactions. Chemists can use these functional groups to carry out reactions such as esterification and amidation to construct organic compounds with different structures and functions, expanding the scope and methods of organic synthesis.

In summary, methyl 4-methyl-3- [ (N-propylalanyl) amino] thiophene-2-carboxylic acid esters play an important role in many fields such as drug research and development, material preparation, and organic synthesis, and play an indispensable role in promoting the development of these fields.

Methyl 4-methyl-3- [ (N-propylalanyl) amino] thiophene-2-carboxylate

The synthesis method of methyl 4-methyl-3- [ (N-propylalanyl) amino] thiophene-2-carboxylic acid ester, although it is not specified in Tiangong Kaiwu, it can be deduced according to the chemical process idea contained in it.

First, the preparation of raw materials. To obtain this compound, it is necessary to find raw materials containing thiophene structure, methyl, carboxyl and amino groups. If a suitable thiophene derivative is used as a group, it should have a modifiable check point to introduce methyl, carboxyl and other groups. The introduction of carboxylic groups can be used by carboxylation reactions, such as halogenated thiophenes and reagents containing carboxyl groups. Under suitable catalyst and reaction conditions, nucleophilic substitution can be performed to connect the carboxyl group to a specific position of the thiophene. The addition of methyl groups, or the alkylation reaction can be used, and halogenated methane and the like can be used as alkylation reagents. Under the catalysis of bases, it reacts with thiophene derivatives, so that the methyl group is connected to the designated carbon site on the thiophene ring.

Second, the construction of amino-related structures. The formation of N-propylalanyl groups can first obtain alanyl groups, starting with alanine, and through appropriate protection and activation steps, one of the carboxyl groups or amino groups can be selectively reacted. After reaction with propylamine, the N-propylalanyl structure is formed. This reaction may require a specific condensing agent to promote the connection between the two under mild acid-base conditions.

Furthermore, the integration of each part. When the carboxyl-containing thiophene derivative and the N-propylalanyl structure are both available, the amidation reaction is used to connect the two. This reaction may require the assistance of a condensing agent such as dicyclohexyl carbodiimide (DCC), in a suitable solvent, at a mild temperature to obtain the target product methyl 4-methyl-3- [ (N-propylalanyl) amino] thiophene-2-carboxylic acid ester. And after each step of the reaction, it needs to be separated and purified, such as extraction, column chromatography, etc., to remove impurities and maintain the purity of the product.

What is the safety of Methyl 4-methyl-3- [ (N-propylalanyl) amino] thiophene-2-carboxylate

Methyl 4 - methyl - 3 - [ (N - propylalanyl) amino] thiophene - 2 - carboxylate is an organic compound. Its safety needs to be investigated from multiple aspects.

From the chemical structure point of view, this compound contains thiophene ring, ester group, methyl group and specific amino group and other functional groups. The existence of ester groups makes it hydrolyzable under specific conditions, and the hydrolysis products may have different chemical and biological activities, which have potential effects on organisms or the environment. The stability and reactivity of thiophene ring also affect the overall safety of the compound. It may participate in chemical reactions to produce new substances, and the safety of these new biomass is unknown.

In living organisms, this compound may interact with biological macromolecules, such as proteins, nucleic acids, etc. If it binds to proteins, or interferes with the normal function of proteins, it will cause disorders in cellular physiological processes. And because it contains heteroatoms such as nitrogen and sulfur, the metabolic process may be complex, and the metabolic products may be toxic.

In the environment, if this compound is released in the environment, its stability and degradability in water, soil, and atmosphere need to be considered. In water bodies, it may affect the survival and reproduction of aquatic organisms; in soil, or change the structure and function of soil microbial communities; in the atmosphere, or participate in photochemical reactions, affecting air quality.

However, based on existing information, it is difficult to determine its specific safety. To be clear, it is necessary to conduct experimental studies, such as toxicological experiments, to test its acute and chronic toxicity to different organisms; and environmental behavior studies to explore its migration and transformation laws in the environment. In this way, the safety of Methyl 4-methyl-3- [ (N-propylalanyl) amino] thiophene-2-carboxylate can be accurately known.