Benzyl S-benzyl-N-[(benzyloxy)carbonyl]cysteinylglycinate

Base Information

• Chemical Name: Benzyl S-benzyl-N-[(benzyloxy)carbonyl]cysteinylglycinate
• CAS No.: 2601-46-9
• Molecular Formula: C₂₇H₂₈N₂O₅S
• Molecular Weight: 492.596
• NSC Number: 164100
• DSSTox Substance ID: DTXSID40304074
• Mol file: 2601-46-9.mol

Synonyms:2601-46-9;NSC164100;Benzyl S-benzyl-N-[(benzyloxy)carbonyl]cysteinylglycinate;DTXSID40304074;NSC-164100

Chemical Property of Benzyl S-benzyl-N-[(benzyloxy)carbonyl]cysteinylglycinate

Chemical Property:

• Vapor Pressure: 1.43E-19mmHg at 25°C
• Boiling Point: 702.3°Cat760mmHg
• Flash Point: 378.5°C
• Density: 1.246g/cm³
• XLogP3: 4.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 14
• Exact Mass: 492.17189317
• Heavy Atom Count: 35
• Complexity: 644

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)COC(=O)CNC(=O)C(CSCC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3

Technology Process of Benzyl S-benzyl-N-[(benzyloxy)carbonyl]cysteinylglycinate

There total 3 articles about Benzyl S-benzyl-N-[(benzyloxy)carbonyl]cysteinylglycinate 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) + Gly-OBz (1738-68-7) → Z-L-Cys(Bzl)-Gly-OBzl (2601-46-9)

Guidance literature:

Multistep reaction; (i) ClCO₂Et, Et₃N, THF, (ii) /BRN= 2047556/, THF;

Reference yield:

benzyloxycarbonyl-S-benzylcysteine (3257-18-9) + Gly-OBz (1738-68-7) + chloroformic acid ethyl ester (541-41-3) → Z-L-Cys(Bzl)-Gly-OBzl (2601-46-9)

Guidance literature:

With chloroform; triethylamine;

Reference yield:

benzyloxycarbonyl-S-benzylcysteine (3257-18-9) + benzyl 2-aminoacetate hydrochloride (2462-31-9) → Z-L-Cys(Bzl)-Gly-OBzl (2601-46-9)

Guidance literature:

With pyridine;

upstream raw materials:

benzyloxycarbonyl-S-benzylcysteine

Gly-OBz

chloroformic acid ethyl ester

benzyl 2-aminoacetate hydrochloride

Downstream raw materials:

N-[S-benzyl-N-(N-benzyloxycarbonyl-L-leucyl)-L-cysteinyl]-glycine benzyl ester

N-(S-benzyl-N-L-leucyl-L-cysteinyl)-glycine

S-benzyl-L-cysteinylglycine

cysteinylglycine