2-[[2-(1,3-Dioxoisoindol-2-yl)acetyl]amino]pentanedioic acid

Base Information

• Chemical Name: 2-[[2-(1,3-Dioxoisoindol-2-yl)acetyl]amino]pentanedioic acid
• CAS No.: 1165-77-1
• Molecular Formula: C₁₅H₁₄N₂O₇
• Molecular Weight: 334.285
• NSC Number: 98645
• Mol file: 1165-77-1.mol

Synonyms:NSC98645;NSC-98645;1165-77-1

Chemical Property of 2-[[2-(1,3-Dioxoisoindol-2-yl)acetyl]amino]pentanedioic acid

Chemical Property:

• Vapor Pressure: 9.47E-19mmHg at 25°C
• Boiling Point: 667.9°Cat760mmHg
• Flash Point: 357.7°C
• Density: 1.531g/cm³
• XLogP3: -0.3
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 7
• Exact Mass: 334.08010079
• Heavy Atom Count: 24
• Complexity: 550

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C(=O)N(C2=O)CC(=O)NC(CCC(=O)O)C(=O)O

Technology Process of 2-[[2-(1,3-Dioxoisoindol-2-yl)acetyl]amino]pentanedioic acid

There total 4 articles about 2-[[2-(1,3-Dioxoisoindol-2-yl)acetyl]amino]pentanedioic 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: 91.0%

N-(N,N-phthaloyl-glycyl)-L-glutamic acid dimethyl ester (101575-62-6) → N-(N,N-phthaloyl-glycyl)-L-glutamic acid (1165-77-1)

Guidance literature:

With hydrogenchloride; for 2h; Ambient temperature;

DOI:10.1002/hlca.19970800324

Reference yield:

N-phthaloylglycine (4702-13-0) → N-(N,N-phthaloyl-glycyl)-L-glutamic acid (1165-77-1)

Guidance literature:

Multi-step reaction with 2 steps

1: triethylamine; chlorocarbonic acid ethyl ester; chloroform / und anschliessend mit L-Glutaminsaeure-dibenzylester-hydrochlorid

2: palladium; ethanol / Hydrogenation

With ethanol; chloroform; chloroformic acid ethyl ester; palladium; triethylamine;

Reference yield:

N-(N,N-phthaloyl-glycyl)-L-glutamic acid dibenzyl ester (16677-43-3) → N-(N,N-phthaloyl-glycyl)-L-glutamic acid (1165-77-1)

Guidance literature:

With ethanol; palladium; Hydrogenation;

upstream raw materials:

L-glutamic acid

N-phthaloylglycine chloride

N-(N,N-phthaloyl-glycyl)-L-glutamic acid dibenzyl ester

N-(N,N-phthaloyl-glycyl)-L-glutamic acid dimethyl ester