Benzyl 3-phenyl-2-[[2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]acetyl]amino]propanoate

Base Information

• Chemical Name: Benzyl 3-phenyl-2-[[2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]acetyl]amino]propanoate
• CAS No.: 34095-05-1
• Molecular Formula: C28H29N3O6
• Molecular Weight: 503.5464
• NSC Number: 169174
• DSSTox Substance ID: DTXSID80305126
• Mol file: 34095-05-1.mol

Synonyms:34095-05-1;NSC169174;DTXSID80305126;AKOS024432486;NSC-169174;benzyl 3-phenyl-2-[[2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]acetyl]amino]propanoate;benzyl (11S)-11-benzyl-3,6,9-trioxo-1-phenyl-2-oxa-4,7,10-triazadodecan-12-oate

Chemical Property of Benzyl 3-phenyl-2-[[2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]acetyl]amino]propanoate

Chemical Property:

• Vapor Pressure: 2.18E-24mmHg at 25°C
• Boiling Point: 781.7°C at 760 mmHg
• Flash Point: 426.6°C
• Density: 1.247g/cm³
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 14
• Exact Mass: 503.20563565
• Heavy Atom Count: 37
• Complexity: 727

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CC(C(=O)OCC2=CC=CC=C2)NC(=O)CNC(=O)CNC(=O)OCC3=CC=CC=C3

Technology Process of Benzyl 3-phenyl-2-[[2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]acetyl]amino]propanoate

There total 3 articles about Benzyl 3-phenyl-2-[[2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]acetyl]amino]propanoate 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:

Z-Gly-L-Phe-OBzl (24117-97-3) → N-benzyloxycarbonyl-glycyl=>glycyl=>phenylalanine benzyl ester; N-benzyloxycarbonyl-glycyl=>glycyl=>L-phenylalanine benzyl ester (34095-05-1)

Guidance literature:

Multi-step reaction with 2 steps

1: HBr; acetic acid

2: ethyl acetate; diethyl ether; aqueous KHCO₃

With diethyl ether; hydrogen bromide; potassium hydrogencarbonate; acetic acid; ethyl acetate;

DOI:10.1021/jo01366a011

Reference yield:

L-phenylalanine benzyl ester; hydrobromide → N-benzyloxycarbonyl-glycyl=>glycyl=>phenylalanine benzyl ester; N-benzyloxycarbonyl-glycyl=>glycyl=>L-phenylalanine benzyl ester (34095-05-1)

Guidance literature:

Multi-step reaction with 3 steps

1: ethyl acetate; diethyl ether; aqueous KHCO₃

2: HBr; acetic acid

3: ethyl acetate; diethyl ether; aqueous KHCO₃

With diethyl ether; hydrogen bromide; potassium hydrogencarbonate; acetic acid; ethyl acetate;

DOI:10.1021/jo01366a011

Reference yield:

N-(benzyloxycarbonyl)glycyl chloride (15050-24-5) + N-glycyl-L-phenylalanine benzyl ester; hydrobromide (87004-75-9) → N-benzyloxycarbonyl-glycyl=>glycyl=>phenylalanine benzyl ester; N-benzyloxycarbonyl-glycyl=>glycyl=>L-phenylalanine benzyl ester (34095-05-1)

Guidance literature:

With diethyl ether; potassium hydrogencarbonate; ethyl acetate;

DOI:10.1021/jo01366a011

upstream raw materials:

N-(benzyloxycarbonyl)glycyl chloride

N-glycyl-L-phenylalanine benzyl ester; hydrobromide

Z-Gly-L-Phe-OBzl