82637-57-8

Basic information

• Product Name: (S)-2-[(S)-2-((S)-1-Ethoxycarbonyl-3-phenylpropylamino)propionyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid benzyl ester
• Synonyms: (S)-2-[(S)-2-((S)-1-Ethoxycarbonyl-3-Phenyl-Propylamino)-Propionyl]-6,7-Dimethoxy-1,2,3,4-Tetrahydro-Isoquinoline-3-Carboxylic Acid Benzyl Ester;2-[(2S)-2-[[(1S)-1-(Ethoxycarbonyl)-3-phenylpropyl]amino]-1-oxopropyl]-1,2,3,4-tetrahydro-6,7-dimethoxy-3-isoquinolinecarboxylic acid phenylmethyl ester
• CAS NO: 82637-57-8
• Molecular Formula: C₃₄H₄₀N₂O₇
• Molecular Weight: 588.69
• Mol File: 82637-57-8.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 738.4 °C at 760 mmHg
• Flash Point: 400.4 °C
• Appearance: /
• Density: 1.191
• Refractive Index: 1.57
• PKA: 5.28±0.39(Predicted)
• CAS DataBase Reference: (S)-2-[(S)-2-((S)-1-Ethoxycarbonyl-3-phenylpropylamino)propionyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid benzyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: (S)-2-[(S)-2-((S)-1-Ethoxycarbonyl-3-phenylpropylamino)propionyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid benzyl ester(82637-57-8)
• EPA Substance Registry System: (S)-2-[(S)-2-((S)-1-Ethoxycarbonyl-3-phenylpropylamino)propionyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid benzyl ester(82637-57-8)

Safety Data

• Hazardous Substances Data: 82637-57-8(Hazardous Substances Data)

Usage

General Description

The chemical "(S)-2-[(S)-2-((S)-1-Ethoxycarbonyl-3-phenylpropylamino)propionyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid benzyl ester" is a complex compound with a long name. It is an ester derivative of a tetrahydroisoquinoline carboxylic acid. The compound contains multiple functional groups, including an amino group, an ester group, and multiple methoxy groups. It is a chiral compound, with all of its stereocenters being of the S configuration. The exact use and properties of this chemical are not immediately apparent from its name, but it likely has applications in medicinal chemistry or as a building block for the synthesis of other complex organic molecules.

InChI:InChI=1/C34H40N2O7/c1-5-42-33(38)28(17-16-24-12-8-6-9-13-24)35-23(2)32(37)36-21-27-20-31(41-4)30(40-3)19-26(27)18-29(36)34(39)43-22-25-14-10-7-11-15-25/h6-15,19-20,23,28-29,35H,5,16-18,21-22H2,1-4H3/t23-,28-,29-/m0/s1

Upstream product

• 80828-26-8 N-[1-(S)-(ethoxycarbonyl)-3-phenylpropyl]-L-alanine hydrochloride 
• 82586-59-2 (S)-1,2,3,4-tetrahydro-6,7-dimethoxy-3-isoquinolinecarboxylic acid, phenylmethylester 

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