Perchlorophenyl S-benzyl-N-(benzyloxycarbonyl)-L-cysteinate

Base Information

• Chemical Name: Perchlorophenyl S-benzyl-N-(benzyloxycarbonyl)-L-cysteinate
• CAS No.: 13673-54-6
• Molecular Formula: C24H18Cl5NO4S
• Molecular Weight: 593.742
• Hs Code.: 2930909090
• European Community (EC) Number: 237-157-1
• DSSTox Substance ID: DTXSID20159908
• Nikkaji Number: J277.977C
• Wikidata: Q76010032
• Mol file: 13673-54-6.mol

Synonyms:13673-54-6;Perchlorophenyl S-benzyl-N-(benzyloxycarbonyl)-L-cysteinate;EINECS 237-157-1;(2,3,4,5,6-pentachlorophenyl) (2R)-3-benzylsulfanyl-2-(phenylmethoxycarbonylamino)propanoate;C24H18Cl5NO4S;DTXSID20159908;C24-H18-Cl5-N-O4-S;N-[(Phenylmethoxy)carbonyl]-S-(phenylmethyl)-L-cysteine pentachlorophenyl ester

Chemical Property of Perchlorophenyl S-benzyl-N-(benzyloxycarbonyl)-L-cysteinate

Chemical Property:

• Vapor Pressure: 1.03E-20mmHg at 25°C
• Melting Point: 168-170 °C(Solv: ethanol (64-17-5); hexane (110-54-3))
• Boiling Point: 722.3°Cat760mmHg
• PKA: 10.31±0.46(Predicted)
• Flash Point: 390.6°C
• PSA: 93.42000
• Density: 1.481g/cm³
• LogP: 8.29180
• XLogP3: 8.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 11
• Exact Mass: 592.936968
• Heavy Atom Count: 35
• Complexity: 664

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)COC(=O)NC(CSCC2=CC=CC=C2)C(=O)OC3=C(C(=C(C(=C3Cl)Cl)Cl)Cl)Cl
• Isomeric SMILES: C1=CC=C(C=C1)COC(=O)N[C@@H](CSCC2=CC=CC=C2)C(=O)OC3=C(C(=C(C(=C3Cl)Cl)Cl)Cl)Cl

Technology Process of Perchlorophenyl S-benzyl-N-(benzyloxycarbonyl)-L-cysteinate

There total 1 articles about Perchlorophenyl S-benzyl-N-(benzyloxycarbonyl)-L-cysteinate 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:

benzyloxycarbonyl-S-benzylcysteine (3257-18-9) + pentachlorophenyl chloroformate (24684-80-8) → Z-Cys(Bzl)-OPcp (13673-54-6)

Guidance literature:

Multistep reaction; (i) DMF, (ii) /BRN= 1155032/, PhNMe₂;

Reference yield:

Z-Cys(Bzl)-OPcp (13673-54-6) → S-Benzyl-N-benzyloxycarbonyl-cystein-(pentachlor-phenylester) (24164-44-1)

Guidance literature:

With triethylamine; In tetrahydrofuran; at 23 ℃; Rate constant;

DOI:10.1039/c29700000053

Reference yield:

L-Valine methyl ester (4070-48-8) + Z-Cys(Bzl)-OPcp (13673-54-6) → Z-S-Bzl-Cys-Val-OMe (24215-87-0)

Guidance literature:

In tetrahydrofuran; at 23 ℃; Rate constant;

DOI:10.1039/c29700000053

upstream raw materials:

benzyloxycarbonyl-S-benzylcysteine

pentachlorophenyl chloroformate

Downstream raw materials:

Z-S-Bzl-Cys-Val-OMe

S-Benzyl-N-benzyloxycarbonyl-cystein-(pentachlor-phenylester)