1H-pyrido[3,4-B]indole-3-carboxylic acid, 1-(1,3-benzodioxol-5-YL)-2,3,4,9-tetrahydro-, methyl ester, (1R,3R)-
(1R,3R)-methyl-1,2,3,4-tetrahydro-1-(3,4-methylenedioxyphenyl)-9H-pyrido[3,4-B]indole-3-carboxylate
CAS: 171596-41-1
Molecular Formula: C20H19ClN2O4
1H-pyrido[3,4-B]indole-3-carboxylic acid, 1-(1,3-benzodioxol-5-YL)-2,3,4,9-tetrahydro-, methyl ester, (1R,3R)- - Names and Identifiers
| Name | (1R,3R)-methyl-1,2,3,4-tetrahydro-1-(3,4-methylenedioxyphenyl)-9H-pyrido[3,4-B]indole-3-carboxylate |
| Synonyms | methyl (1R,3R)-1-(1,3-benzodioxol-5-yl)-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylate (1R,3R)-methyl-1,2,3,4-tetrahydro-1-(3,4-methylenedioxyphenyl)-9H-pyrido[3,4-B]indole-3-carboxylate 1H-pyrido[3,4-B]indole-3-carboxylicacid, 1-(1,3-benzodioxol-5-YL)-2,3,4,9-tetrahydro-methylester,(1R,3R)- 1H-pyrido[3,4-B]indole-3-carboxylic acid, 1-(1,3-benzodioxol-5-YL)-2,3,4,9-tetrahydro-, methyl ester, (1R,3R)- |
| CAS | 171596-41-1 |
| InChI | InChI=1/C20H18N2O4/c1-24-20(23)15-9-13-12-4-2-3-5-14(12)21-19(13)18(22-15)11-6-7-16-17(8-11)26-10-25-16/h2-8,15,18,21-22H,9-10H2,1H3/t15-,18-/m1/s1 |
1H-pyrido[3,4-B]indole-3-carboxylic acid, 1-(1,3-benzodioxol-5-YL)-2,3,4,9-tetrahydro-, methyl ester, (1R,3R)- - Physico-chemical Properties
| Molecular Formula | C20H19ClN2O4 |
| Molar Mass | 386.829 |
| Density | 1.36g/cm3 |
| Melting Point | 83-85℃ |
| Boling Point | 530.977°C at 760 mmHg |
| Flash Point | 274.925°C |
| Vapor Presure | 0mmHg at 25°C |
| Storage Condition | 2-8℃ |
| Refractive Index | 1.664 |
1H-pyrido[3,4-B]indole-3-carboxylic acid, 1-(1,3-benzodioxol-5-YL)-2,3,4,9-tetrahydro-, methyl ester, (1R,3R)- - Introduction
(1R,3R)-methyl-1,2,3,4-tetrahydro-1-(3,4-methylenedioxyphenyl)-9H-pyrido [3,4-b] indole-3-carboxylate, also known as substance A, it is an organic compound. The following is a description of the properties, uses, preparation and safety information of the compound:
Nature:
-Appearance: Substance A is A white solid.
-Solubility: Substance A is soluble in organic solvents such as dichloromethane and ethanol, and slightly soluble in water.
-Melting point: The melting point of substance A is about 50-60 degrees Celsius.
-molecular formula: C18H19NO4
-Molecular weight: 313.35g/mol
Use:
Substance A has multiple applications in the pharmaceutical field:
-Drug research: Substance A can be used for drug synthesis and expanding compound libraries.
-Chemical synthesis: Substance A can be used as an intermediate in organic synthesis to prepare other compounds.
Method:
The preparation method of substance A can be carried out by the following steps:
1. First, mercapto amine and benzaldehyde are reacted to generate methylene amine.
2. Esterification reaction of methylene amine with 2-hydroxy-9H-pyridine [3,4-b] Indole -3-carboxylic acid methyl ester.
3. Finally, the ester group is hydrogenated with a hydrogenation agent to give (1R,3R)-methyl-1,2,3,4-tetrahydro-1-(3,4-methylenedioxyphenyl)-9H-pyrido[3,4-B]indole-3-carboxylate.
Safety Information:
The safety of substance A has not been fully assessed, please refer to the relevant safety data sheets and chemical instructions before use, and take appropriate safety precautions. Avoid contact with skin, eyes and inhalation during handling and storage. Proper handling and disposal of waste.
Nature:
-Appearance: Substance A is A white solid.
-Solubility: Substance A is soluble in organic solvents such as dichloromethane and ethanol, and slightly soluble in water.
-Melting point: The melting point of substance A is about 50-60 degrees Celsius.
-molecular formula: C18H19NO4
-Molecular weight: 313.35g/mol
Use:
Substance A has multiple applications in the pharmaceutical field:
-Drug research: Substance A can be used for drug synthesis and expanding compound libraries.
-Chemical synthesis: Substance A can be used as an intermediate in organic synthesis to prepare other compounds.
Method:
The preparation method of substance A can be carried out by the following steps:
1. First, mercapto amine and benzaldehyde are reacted to generate methylene amine.
2. Esterification reaction of methylene amine with 2-hydroxy-9H-pyridine [3,4-b] Indole -3-carboxylic acid methyl ester.
3. Finally, the ester group is hydrogenated with a hydrogenation agent to give (1R,3R)-methyl-1,2,3,4-tetrahydro-1-(3,4-methylenedioxyphenyl)-9H-pyrido[3,4-B]indole-3-carboxylate.
Safety Information:
The safety of substance A has not been fully assessed, please refer to the relevant safety data sheets and chemical instructions before use, and take appropriate safety precautions. Avoid contact with skin, eyes and inhalation during handling and storage. Proper handling and disposal of waste.
Last Update：2024-04-09 21:01:54
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