Benzyl N-benzyloxycarbonyl-DL-alaninate

Base Information

• Chemical Name: Benzyl N-benzyloxycarbonyl-DL-alaninate
• CAS No.: 5513-39-3
• Molecular Formula: C18H19 N O4
• Molecular Weight: 313.353
• Hs Code.: 2924299090
• European Community (EC) Number: 226-857-2
• DSSTox Substance ID: DTXSID10970487
• Nikkaji Number: J2.987.103E
• Mol file: 5513-39-3.mol

Synonyms:Benzyl N-benzyloxycarbonyl-DL-alaninate;5513-39-3;EINECS 226-857-2;SCHEMBL15080869;DTXSID10970487;Benzyl N-[(benzyloxy)(hydroxy)methylidene]alaninate;2-(Benzyloxycarbonylamino)propanoic acid benzyl ester

Chemical Property of Benzyl N-benzyloxycarbonyl-DL-alaninate

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 471.9°Cat760mmHg
• Flash Point: 239.2°C
• PSA: 68.12000
• Density: 1.181g/cm³
• LogP: 3.24910
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 8
• Exact Mass: 313.13140809
• Heavy Atom Count: 23
• Complexity: 373

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C(=O)OCC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2

Technology Process of Benzyl N-benzyloxycarbonyl-DL-alaninate

There total 3 articles about Benzyl N-benzyloxycarbonyl-DL-alaninate 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:

N-benzyloxycarbonylalanine (4132-86-9,26607-51-2,1142-20-7) + benzyl alcohol (100-51-6,185532-71-2) → N-benzyloxycarbonyl-alanine benzyl ester (5513-39-3)

Guidance literature:

With sulfuryl dichloride; In 1,1,2,2-tetrachloroethylene;

Reference yield:

N-benzyloxycarbonylalanine (4132-86-9,26607-51-2,1142-20-7) + toluene-4-sulfonic acid (104-15-4) + benzyl alcohol (100-51-6,185532-71-2) → N-benzyloxycarbonyl-alanine benzyl ester (5513-39-3)

Guidance literature:

With benzene;

DOI:10.1021/jo50012a002

Reference yield:

→ N-benzyloxycarbonyl-alanine benzyl ester (5513-39-3)

Guidance literature:

upstream raw materials:

N-benzyloxycarbonylalanine

toluene-4-sulfonic acid

benzyl alcohol

Downstream raw materials:

Cbz-Ala-Thr-NHNH₂

Z-(S)-Ala-(S)-Pro-OBzl