Glycinamide, N-(2-benzoyl-4-nitrophenyl)-glycyl-, hydrobromide, hydrate (2:2:1)

Base Information

• Chemical Name: Glycinamide, N-(2-benzoyl-4-nitrophenyl)-glycyl-, hydrobromide, hydrate (2:2:1)
• CAS No.: 76337-89-8
• Molecular Formula: C17H16 N4 O5 . Br H
• Molecular Weight: 455.263
• DSSTox Substance ID: DTXSID00227199
• Mol file: 76337-89-8.mol

Synonyms:Glycinamide, N-(2-benzoyl-4-nitrophenyl)-glycyl-, hydrobromide, hydrate (2:2:1);76337-89-8;N-(2-Benzoyl-4-nitrophenyl)-glycyl-glycinamide hydrobromide hydrate (2:2:1);2-amino-N-[2-(2-benzoyl-4-nitroanilino)acetyl]acetamide;hydrobromide;DTXSID00227199;C17H16N4O5.BrH.1/2H2O;LS-72171;C17-H16-N4-O5.Br-H.1/2H2-O

Chemical Property of Glycinamide, N-(2-benzoyl-4-nitrophenyl)-glycyl-, hydrobromide, hydrate (2:2:1)

Chemical Property:

• Vapor Pressure: 1.4E-17mmHg at 25°C
• Boiling Point: 665.6°C at 760 mmHg
• Flash Point: 356.3°C
• PSA: 150.60000
• LogP: 3.93410
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 6
• Exact Mass: 436.03823
• Heavy Atom Count: 27
• Complexity: 542

Purity/Quality:

99% ^*data from raw suppliers

N-(2-BENZOYL-4-NITROPHENYL)-GLYCYL-GLYCINAMIDE HYDROBROMIDE HYDRATE (2 :2:1) 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NCC(=O)NC(=O)CN.Br

Technology Process of Glycinamide, N-(2-benzoyl-4-nitrophenyl)-glycyl-, hydrobromide, hydrate (2:2:1)

There total 2 articles about Glycinamide, N-(2-benzoyl-4-nitrophenyl)-glycyl-, hydrobromide, hydrate (2:2:1) 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: 94.0%

({[(2-Benzoyl-4-nitro-phenylcarbamoyl)-methyl]-carbamoyl}-methyl)-carbamic acid benzyl ester (76337-87-6) → 2-Amino-N-[(2-benzoyl-4-nitro-phenylcarbamoyl)-methyl]-acetamide; hydrobromide (76337-89-8)

Guidance literature:

With hydrogen bromide; In acetic acid; for 1h; Ambient temperature;

DOI:10.1021/jm00133a006

Reference yield:

2-Amino-N-(2-benzoyl-4-nitro-phenyl)-acetamide; hydrobromide (76337-84-3) → 2-Amino-N-[(2-benzoyl-4-nitro-phenylcarbamoyl)-methyl]-acetamide; hydrobromide (76337-89-8)

Guidance literature:

Multi-step reaction with 2 steps

1: hexamethylphosphoric acid triamide / Ambient temperature

2: 94 percent / 21.8percent HBr / acetic acid / 1 h / Ambient temperature

With hydrogen bromide; In N,N,N,N,N,N-hexamethylphosphoric triamide; acetic acid;

DOI:10.1021/jm00133a006

upstream raw materials:

({[(2-Benzoyl-4-nitro-phenylcarbamoyl)-methyl]-carbamoyl}-methyl)-carbamic acid benzyl ester

2-Amino-N-(2-benzoyl-4-nitro-phenyl)-acetamide; hydrobromide

Refernces