What is the chemical structure of (3S) -2- [ (2S) -2- {[ (1S) -1- (ethoxycarbonyl) -3-phenylpropyl] amino} propionyl] -6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid hydrochloride

The chemical structure of (3S) -2 - [ (2S) -2 - {[ (1S) -1 - (ethoxycarbonyl) -3 - benzylethyl] amino} propionamide] -6,7 - diethoxy - 1,2,3,4 - tetrahydroisoquinoline - 3 - carboxylic acid amide is as follows:

This compound contains a number of specific functional groups and chiral centers. First look at its core structure, the 1,2,3,4 - tetrahydroisoquinoline part is the key skeleton, and there are carboxylic acid amide groups at the third position, which endow it with certain chemical activities and reaction check points, which affect the interaction of molecules with other substances. The diethoxy group at position 6,7 enhances the lipophilicity of the molecule, which has an important impact on its transport and distribution in vivo.

Looking at the side chain part, the (3S) and (2S), (1S) chiral centers determine the molecular stereochemical configuration, which plays a key role in chiral recognition, biological activity and pharmacology. (1S) -1 - (ethoxycarbonyl) -3 - benzylethyl structure, ethoxycarbonyl has certain stability and reactivity, while benzyl increases molecular hydrophobicity and steric resistance. ( 2S) -2 - {[ (1S) -1 - (ethoxycarbonyl) -3 - benzylethyl] amino} propionamide is connected to the core skeleton through amide bonds, and the stability of amide bonds is high, which makes the molecular structure stable, and the side chain as a whole affects the molecular spatial shape and electron cloud distribution.

Such a complex structure, the interaction of various parts, jointly determines the physical, chemical and biological properties of the compound. In the fields of organic synthesis, medicinal chemistry and other fields, its structural characteristics provide an important basis for the design and synthesis of related derivatives and the study of structure-activity relationships.

What are the physical properties of (3S) -2- [ (2S) -2- {[ (1S) -1- (ethoxycarbonyl) -3-phenylpropyl] amino} propionyl] -6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid hydrochloride

(3S) - 2 - [ (2S) - 2 - {[ (1S) - 1 - (ethoxycarbonyl) - 3 -phenylethyl] amino} propionamide] - 6,7 -diethoxy - 1,2,3,4 -tetrahydroisoquinoline - 3 -carboxylic acid methyl ester, this is a complex organic compound. When it comes to its physical properties, it is as follows:

Looking at its properties, under room temperature and pressure, it is mostly in the state of white to white crystalline powder. This form is easy to store and use. In many chemical experiments and industrial production processes, this physical form is conducive to accurate weighing and subsequent operations.

When it comes to melting point, after professional determination, its melting point is in a specific temperature range. This value is of great significance for the purity identification of the compound and the determination of the phase change under specific conditions. Once the melting point is deviated, it is very likely that the purity of the compound is insufficient and other impurities are mixed.

Besides solubility, this compound exhibits certain solubility in some common organic solvents, such as ethanol and dichloromethane. This property is very critical in organic synthesis reactions. With the help of suitable solvents, the reactants can be fully mixed and the smooth progress of the reaction can be promoted. However, its solubility in water is not good, which is determined by the molecular structure of the compound. There are many hydrophobic groups in the molecule, making it difficult to form effective interactions with water molecules.

Its density also has a specific value. As one of the basic physical properties of substances, density has important reference value in terms of separation, purification and distribution in specific reaction systems.

The above physical properties play a crucial role in the in-depth understanding of the chemical behavior of (3S) -2- [ (2S) -2- {[ (1S) -1- (ethoxycarbonyl) -3-phenylethyl] amino} propionamide] -6,7-diethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid methyl esters, the conditions involved in the reaction and subsequent applications.

What is the synthesis method of (3S) -2- [ (2S) -2- {[ (1S) -1- (ethoxycarbonyl) -3-phenylpropyl] amino} propionyl] -6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid hydrochloride

The synthesis of (3S) - 2 - [ (2S) - 2 - {[ (1S) - 1 - (ethoxycarbonyl) - 3 -phenylethyl] amino} propionamide] - 6,7 -diethoxy - 1,2,3,4 -tetrahydroisoquinoline - 3 -carboxylic acid amide is a crucial step in the field of organic synthesis. This synthesis requires specific reaction paths and conditions to achieve the desired product.

The first step is to prepare the key intermediate. ( 1S) - 1 - (ethoxycarbonyl) - 3 - phenylethyl-related compounds can be prepared by esterification from suitable starting materials. Ethanol and carboxyl-containing phenyl compounds can be reacted under the condition of heat reflux under a suitable catalyst, such as concentrated sulfuric acid, to form (ethoxycarbonyl) -phenyl compounds. Subsequently, by chiral-induced reaction, a specific three-dimensional configuration is introduced to obtain (1S) - 1 - (ethoxycarbonyl) - 3 - phenylethyl intermediates.

Next steps, the nitrogen-containing structure is constructed. Using (2S) -2 -aminopropionamide as raw material, with the above-prepared (1S) -1 - (ethoxycarbonyl) -3 -phenylethyl intermediate, in the presence of a condensing agent, such as dicyclohexylcarbodiimide (DCC), in a suitable organic solvent, such as dichloromethane, the condensation reaction is carried out to generate compounds containing complex nitrogen structures. This reaction requires strict control of reaction temperature and time to ensure the stereoselectivity and yield of the reaction.

Furthermore, the structure of tetrahydroisoquinoline is constructed. The above product and the diethoxy-containing compound are cyclized under acidic catalysts such as p-toluenesulfonic acid under heating conditions to form a 6,7-diethoxy-1,2,3,4-tetrahydroisoquinoline structure. This step also requires precise regulation of the reaction conditions to avoid side reactions.

Finally, a carboxyamide group is introduced. A suitable carboxylic acid derivative, such as an acid chloride, is reacted with the above cyclization product in an organic solvent in the presence of an acid binding agent, such as triethylamine, to eventually form the target product (3S) - 2 - [ (2S) - 2 - {[ (1S) - 1 - (ethoxycarbonyl) - 3 -phenylethyl] amino} propionamide] -6,7 -diethoxy - 1,2,3,4 -tetrahydroisoquinoline - 3 -carboxylic acid amide. After each step of the reaction, the product needs to be purified by column chromatography, recrystallization and other methods to obtain a high-purity target product.

What is the use of (3S) -2- [ (2S) -2- {[ (1S) -1- (ethoxycarbonyl) -3-phenylpropyl] amino} propionyl] -6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid hydrochloride

(3S) - 2 - [ (2S) - 2 - {[ (1S) - 1 - (ethoxycarbonyl) - 3 -phenylethyl] amino} propionamide] - 6,7 -diethoxy - 1,2,3,4 -tetrahydroisoquinoline - 3 -carboxylic acid methyl ester This substance is of critical use.

It is often used as a key intermediate in the field of organic synthesis. Due to its unique structure and multiple modifiable check points, its structure can be adjusted and optimized by chemical means, and then a series of compounds with different biological activities and application values can be derived. For example, in the field of medicinal chemistry, researchers can develop structural modifications based on this compound to develop new drugs with specific pharmacological activities.

In the field of materials science, (3S) - 2 - [ (2S) - 2 - {[ (1S) - 1 - (ethoxycarbonyl) - 3 -phenylethyl] amino} propionamide] - 6,7 -diethoxy - 1,2,3,4 -tetrahydroisoquinoline - 3 -carboxylic acid methyl esters or can combine with other materials through specific reactions to give new properties, such as improving the optical and electrical properties of materials.

Furthermore, in the total synthesis of natural products, this compound may serve as an important synthetic block to help achieve the total synthesis of complex natural products, laying the foundation for exploring the biological activities and mechanisms of natural products. All of these highlight the important uses of (3S) - 2 - [ (2S) - 2 - {[ (1S) - 1 - (ethoxycarbonyl) - 3 - phenylethyl] amino} propionamide] - 6,7 - diethoxy - 1, 2, 3, 4 - tetrahydroisoquinoline - 3 - carboxylic acid methyl ester in many scientific fields.

(3S) 2- [ (2S) -2- {[ (1S) -1- (ethoxycarbonyl) -3-phenylpropyl] amino} propionyl] -6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid hydrochloride What are the Quality Standards

(3S) - 2 - [ (2S) - 2 - {[ (1S) - 1 - (ethoxycarbonyl) - 3 - benzylethyl] amino} propyl] - 6,7 - diethoxy - 1,2,3,4 - tetrahydroisoquinoline - 3 - carboxylic acid amide Quality Standards are crucial in pharmaceutical and other fields.

Looking at this compound, first, the content needs to be accurately determined, which is the key standard. The content of pure products should reach a very high proportion to meet the quality requirements. If the content is insufficient, the efficacy may be difficult to meet expectations, which will affect the clinical application. Second, the limit of related substances cannot be ignored. Excessive impurities, or cause adverse reactions, threaten the health of users. Therefore, it is necessary to strictly control (3S) - 2 - [ (2S) - 2 - {[ (1S) - 1 - (ethoxycarbonyl) - 3 - benzylethyl] amino} propyl] - 6,7 - diethoxy - 1,2,3,4 - tetrahydroisoquinoline - 3 - various impurities produced in the synthesis of carboxylic acid amide. Third, the amount of residual solvent is also standardized. If the residual solvent used in the synthesis exceeds the standard, it is also harmful. It is necessary to ensure that the residual solvent is within the safe range to ensure the safety of the product. Fourth, the physical properties are also the main points of quality consideration. Such as appearance, melting point, solubility, etc., should meet the established standards. If the appearance is abnormal, it may suggest that the quality of the product has changed; the melting point deviation may reflect the difference in purity; the solubility does not match, or affects the absorption of drugs. In summary, the Quality Standards of this compound cover the content, related substances, solvent residues and physical properties, etc., and all aspects complement each other to jointly ensure product quality and application effect.