852921-57-4

Basic information

• Product Name: (2R,3aS,7aR)-1-[(2S)-2-[[(1S)-1-(Ethoxycarbonyl)-3-phenylpropyl]aMino]-1-oxopropyl]octahydro-1H-indole-2-carboxylic Acid
• Synonyms: (2R,3aS,7aR)-1-[(2S)-2-[[(1S)-1-(Ethoxycarbonyl)-3-phenylpropyl]aMino]-1-oxopropyl]octahydro-1H-indole-2-carboxylic Acid
• CAS NO: 852921-57-4
• Molecular Formula: C₂₄H₃₄N₂O₅
• Molecular Weight: 430.53716
• Product Categories: Intermediates & Fine Chemicals;Pharmaceuticals;Pharmaceuticals, Intermediates & Fine Chemicals
• Mol File: 852921-57-4.mol
• Article Data: 2

Chemical Properties

• Boiling Point: 626.0±55.0 °C(Predicted)
• Appearance: /
• Density: 1.181±0.06 g/cm3(Predicted)
• Solubility: Chloroform, Dichloromethane, Dimethyl Sulfoxide, Methanol
• PKA: 3.15±0.20(Predicted)
• CAS DataBase Reference: (2R,3aS,7aR)-1-[(2S)-2-[[(1S)-1-(Ethoxycarbonyl)-3-phenylpropyl]aMino]-1-oxopropyl]octahydro-1H-indole-2-carboxylic Acid(CAS DataBase Reference)
• NIST Chemistry Reference: (2R,3aS,7aR)-1-[(2S)-2-[[(1S)-1-(Ethoxycarbonyl)-3-phenylpropyl]aMino]-1-oxopropyl]octahydro-1H-indole-2-carboxylic Acid(852921-57-4)
• EPA Substance Registry System: (2R,3aS,7aR)-1-[(2S)-2-[[(1S)-1-(Ethoxycarbonyl)-3-phenylpropyl]aMino]-1-oxopropyl]octahydro-1H-indole-2-carboxylic Acid(852921-57-4)

Safety Data

• Hazardous Substances Data: 852921-57-4(Hazardous Substances Data)

Usage

Description

(2R,3aS,7aR)-1-[(2S)-2-[[(1S)-1-(Ethoxycarbonyl)-3-phenylpropyl]aMino]-1-oxopropyl]octahydro-1H-indole-2-carboxylic Acid is a complex organic compound with a unique molecular structure. It is characterized by its chiral centers at the 2R, 3aS, and 7aR positions, as well as its indole and carboxylic acid functional groups. (2R,3aS,7aR)-1-[(2S)-2-[[(1S)-1-(Ethoxycarbonyl)-3-phenylpropyl]aMino]-1-oxopropyl]octahydro-1H-indole-2-carboxylic Acid is a beige gummy solid and is primarily known as a side product in the preparation of Trandolapril (T713500).

Uses

Used in Pharmaceutical Industry:
(2R,3aS,7aR)-1-[(2S)-2-[[(1S)-1-(Ethoxycarbonyl)-3-phenylpropyl]aMino]-1-oxopropyl]octahydro-1H-indole-2-carboxylic Acid is used as a side product in the synthesis of Trandolapril, a medication used to treat hypertension and heart failure. Its presence in the synthesis process highlights its potential role in the development of pharmaceutical compounds.
Used in Chemical Research:
As a complex organic compound with unique structural features, (2R,3aS,7aR)-1-[(2S)-2-[[(1S)-1-(Ethoxycarbonyl)-3-phenylpropyl]aMino]-1-oxopropyl]octahydro-1H-indole-2-carboxylic Acid can be utilized in chemical research to study its properties, reactivity, and potential applications in various fields. Its chiral centers and functional groups make it an interesting subject for investigation and development of new chemical processes or products.

Upstream product

• 82717-90-6 cis,syn-octahydro-1H-indole-2(S)-carboxylic acid, phenylmethylester 
• 82717-96-2 [1(S)-(ethoxycarbonyl)-3-phenylpropyl]-(S)-alanine 
• 80828-13-3 rac-trans-octahydroindole-2-carboxylic acid 
• 84793-24-8 N-[1-(S)-ethoxycarbonyl-3-phenylpropyl]-L-alanine N-carboxyanhydride 

Relevant articles and documents

PREPARATION OF TRANDOLAPRIL

A process for preparing trandolapril, (2S,3aR,7aS)-1-[(S)-N-[(S)-1-Carboxy-3-phenylpropyl]alanyl]hexahydro-2-indolinecarboxylic acid, 1-ethyl ester, and intermediates that are useful in the process.