Benzoyl L-arginine methyl ester

Base Information

• Chemical Name: Benzoyl L-arginine methyl ester
• CAS No.: 967-88-4
• Molecular Formula: C14H20 N4 O3
• Molecular Weight: 292.338
• Hs Code.: 2925290090
• DSSTox Substance ID: DTXSID50242397
• Nikkaji Number: J292.558C
• ChEMBL ID: CHEMBL2323123
• Mol file: 967-88-4.mol

Synonyms:BAME;benzoyl L-arginine methyl ester;benzoyl L-arginine methyl ester hydrochloride;benzoyl L-arginine methyl ester, (DL-Arg)-isomer

Chemical Property of Benzoyl L-arginine methyl ester

Chemical Property:

• PSA: 120.79000
• Density: 1.25g/cm³
• LogP: 1.98700
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 8
• Exact Mass: 292.15354051
• Heavy Atom Count: 21
• Complexity: 374

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C(CCCN=C(N)N)NC(=O)C1=CC=CC=C1
• Isomeric SMILES: COC(=O)[C@H](CCCN=C(N)N)NC(=O)C1=CC=CC=C1

Technology Process of Benzoyl L-arginine methyl ester

There total 2 articles about Benzoyl L-arginine methyl ester 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:

Nα-benzoyl-L-arginine (154-92-7) → N-α-benzoyl-L-arginine methyl ester (967-88-4)

Guidance literature:

With hydrogenchloride;

Reference yield:

benzoyl chloride (98-88-4) → N-α-benzoyl-L-arginine methyl ester (967-88-4)

Guidance literature:

Multi-step reaction with 2 steps

1: water / 20 °C / pH 8

2: methanol. hydrochloric acid

With hydrogenchloride; water;

Reference yield:

N-α-benzoyl-L-arginine methyl ester (967-88-4) → benzoyl-L-arginine amide (965-03-7)

Guidance literature:

With ammonia;

upstream raw materials:

Nα-benzoyl-L-arginine

benzoyl chloride

Downstream raw materials:

benzoyl-L-arginine amide