1-(N-Carbobenzoxy-gamma-glutamyl)perhydroindoline-2-carboxylic acid

Base Information

• Chemical Name: 1-(N-Carbobenzoxy-gamma-glutamyl)perhydroindoline-2-carboxylic acid
• CAS No.: 97975-46-7
• Molecular Formula: C22H28 N2 O7
• Molecular Weight: 432.47
• ChEMBL ID: CHEMBL40435
• Mol file: 97975-46-7.mol

Synonyms:1-(N-carbobenzoxy-gamma-glutamyl)perhydroindoline-2-carboxylic acid;1-CGPIC

Chemical Property of 1-(N-Carbobenzoxy-gamma-glutamyl)perhydroindoline-2-carboxylic acid

Chemical Property:

• Vapor Pressure: 2.12E-22mmHg at 25°C
• Boiling Point: 730.5°Cat760mmHg
• Flash Point: 395.6°C
• PSA: 133.24000
• Density: 1.327g/cm³
• LogP: 2.71930
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 9
• Exact Mass: 432.18965124
• Heavy Atom Count: 31
• Complexity: 677

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC2C(C1)CC(N2C(=O)CCC(C(=O)O)NC(=O)OCC3=CC=CC=C3)C(=O)O
• Isomeric SMILES: C1CC[C@H]2[C@@H](C1)C[C@H](N2C(=O)CC[C@H](C(=O)O)NC(=O)OCC3=CC=CC=C3)C(=O)O

Technology Process of 1-(N-Carbobenzoxy-gamma-glutamyl)perhydroindoline-2-carboxylic acid

There total 1 articles about 1-(N-Carbobenzoxy-gamma-glutamyl)perhydroindoline-2-carboxylic acid which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 53.0%

benzyl (R)-(2,6-dioxotetrahydro-2H-pyran-3-yl)carbamate (71869-80-2) + perhydroindoline-2(S)-carboxylic acid hydrochloride (97975-67-2,1004292-98-1) → 1-(N-carbobenzoxy-γ-D-glutamyl)-cis-perhydroindoline-2(S)-carboxylic acid (97975-46-7)

Guidance literature:

With pyridine; at 70 ℃; for 5h;

DOI:10.1021/jm00149a011

upstream raw materials:

benzyl (R)-(2,6-dioxotetrahydro-2H-pyran-3-yl)carbamate

perhydroindoline-2(S)-carboxylic acid hydrochloride

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