Methyl 2-[[3-benzylsulfanyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]-4-methylpentanoate

Base Information

• Chemical Name: Methyl 2-[[3-benzylsulfanyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]-4-methylpentanoate
• CAS No.: 14433-08-0
• Molecular Formula: C₂₅H₃₂N₂O₅S
• Molecular Weight: 472.605
• European Community (EC) Number: 668-957-2
• NSC Number: 164106
• DSSTox Substance ID: DTXSID80304078
• Mol file: 14433-08-0.mol

Synonyms:14433-08-0;NSC164106;DTXSID80304078;NSC-164106;methyl 2-[[3-benzylsulfanyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]-4-methylpentanoate

Chemical Property of Methyl 2-[[3-benzylsulfanyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]-4-methylpentanoate

Chemical Property:

• Vapor Pressure: 9.31E-17mmHg at 25°C
• Boiling Point: 649.6°C at 760 mmHg
• Flash Point: 346.7°C
• Density: 1.177g/cm³
• XLogP3: 4.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 14
• Exact Mass: 472.20319330
• Heavy Atom Count: 33
• Complexity: 604

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)CC(C(=O)OC)NC(=O)C(CSCC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2

Technology Process of Methyl 2-[[3-benzylsulfanyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]-4-methylpentanoate

There total 3 articles about Methyl 2-[[3-benzylsulfanyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]-4-methylpentanoate 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:

[(R)-1-Benzylsulfanylmethyl-2-oxo-2-(1,1,3-trioxo-1,3-dihydro-1λ6-benzo[d]isothiazol-2-yl)-ethyl]-carbamic acid benzyl ester + methyl (L)-leucinate hydrochloride (7517-19-3) → Carbobenzoxy-(S-benzyl-Cys)-Leu-methylester (14433-08-0)

Guidance literature:

With triethylamine; In dichloromethane;

DOI:10.1002/jlac.19666980128

Reference yield:

benzyloxycarbonyl-S-benzylcysteine (3257-18-9) + methyl (L)-leucinate hydrochloride (7517-19-3) → Carbobenzoxy-(S-benzyl-Cys)-Leu-methylester (14433-08-0)

Guidance literature:

(enzymatic coupling);

DOI:10.1246/bcsj.52.796

Reference yield:

benzyloxycarbonyl-S-benzylcysteine (3257-18-9) + (S)-Leu-OMe (2666-93-5) → Carbobenzoxy-(S-benzyl-Cys)-Leu-methylester (14433-08-0)

Guidance literature:

Multistep reaction; (i) Et₃N, ClCO₂Et, (ii) /BRN= 1722045/;

DOI:10.1248/cpb.27.1360

upstream raw materials:

methyl (L)-leucinate hydrochloride

benzyloxycarbonyl-S-benzylcysteine

(S)-Leu-OMe

Refernces

• 1、 Micheel,Lorenz. "Peptide syntheses with mixed anhydrides from N-acyl-amino acids and saccharin". . p. 242 - 252. Retrieved 2007/10/05.