4-(Hydroxy(oxido)amino)phenyl 3-(benzhydrylthio)-2-(((benzyloxy)carbonyl)amino)propanoate

Base Information

• Chemical Name: 4-(Hydroxy(oxido)amino)phenyl 3-(benzhydrylthio)-2-(((benzyloxy)carbonyl)amino)propanoate
• CAS No.: 5673-57-4
• Molecular Formula: C30H26N2O6S
• Molecular Weight: 542.6022
• NSC Number: 96726

Synonyms:5673-57-4;NSC96726;NSC 96726;4-(Hydroxy(oxido)amino)phenyl 3-(benzhydrylthio)-2-(((benzyloxy)carbonyl)amino)propanoate;NSC-96726;(4-nitrophenyl) 3-benzhydrylsulfanyl-2-(benzyloxycarbonylamino)propanoate

Chemical Property of 4-(Hydroxy(oxido)amino)phenyl 3-(benzhydrylthio)-2-(((benzyloxy)carbonyl)amino)propanoate

Chemical Property:

• Vapor Pressure: 4.53E-21mmHg at 25°C
• Boiling Point: 728.4°Cat760mmHg
• Flash Point: 394.3°C
• Density: 1.301g/cm³
• XLogP3: 6.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 12
• Exact Mass: 542.15115773
• Heavy Atom Count: 39
• Complexity: 748

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)COC(=O)NC(CSC(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)OC4=CC=C(C=C4)[N+](=O)[O-]

Technology Process of 4-(Hydroxy(oxido)amino)phenyl 3-(benzhydrylthio)-2-(((benzyloxy)carbonyl)amino)propanoate

There total 2 articles about 4-(Hydroxy(oxido)amino)phenyl 3-(benzhydrylthio)-2-(((benzyloxy)carbonyl)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:

4-nitro-phenol (100-02-7,78813-13-5,89830-32-0) + N-Benzyloxycarbonyl-S-diphenylmethyl-L-cystein → N-Benzyloxycarbonyl-S-benzhydryl-L-cystein-(4-nitro-phenylester) (5673-57-4)

Guidance literature:

Multistep reaction; (i) aq. H₂SO₄, (ii) /BRN= 1281877/, DCC;

DOI:10.1039/j39680001860

Reference yield:

→ N-Benzyloxycarbonyl-S-benzhydryl-L-cystein-(4-nitro-phenylester) (5673-57-4)

Guidance literature:

Cyclohexylaminsalz d. N-Carbobenzoxy-S-diphenylmethyl-L-cysteins, 1) wss. HCl, 2) 4-Nitrophenol, DCC in Aethylacetat (Raumtemp.);

upstream raw materials:

4-nitro-phenol

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