Benzyl N-[(benzyloxy)carbonyl]-beta-alanylvalinate

Base Information

• Chemical Name: Benzyl N-[(benzyloxy)carbonyl]-beta-alanylvalinate
• CAS No.: 61058-46-6
• Molecular Formula: C23H28N2O5
• Molecular Weight: 412.4788
• European Community (EC) Number: 636-420-1
• NSC Number: 164083
• DSSTox Substance ID: DTXSID10304066
• Mol file: 61058-46-6.mol

Synonyms:61058-46-6;Benzyl N-[(benzyloxy)carbonyl]-beta-alanylvalinate;benzyl 3-methyl-2-[3-(phenylmethoxycarbonylamino)propanoylamino]butanoate;NSC164083;DTXSID10304066;AKOS024432516;NSC-164083;benzyl (2S)-2-[(3-{[(benzyloxy)carbonyl]amino}propanoyl)amino]-3-methylbutanoate

Chemical Property of Benzyl N-[(benzyloxy)carbonyl]-beta-alanylvalinate

Chemical Property:

• Vapor Pressure: 1.06E-14mmHg at 25°C
• Boiling Point: 607.4°Cat760mmHg
• Flash Point: 321.2°C
• PSA: 93.73000
• Density: 1.165g/cm³
• LogP: 3.96890
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 12
• Exact Mass: 412.19982200
• Heavy Atom Count: 30
• Complexity: 540

Purity/Quality:

99% ^*data from raw suppliers

CARBOBENZYLOXY-BETA-ALANYL-L-VALINE BENZYL ESTER Aldrich ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

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

Technology Process of Benzyl N-[(benzyloxy)carbonyl]-beta-alanylvalinate

There total 1 articles about Benzyl N-[(benzyloxy)carbonyl]-beta-alanylvalinate 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:

3-(benzyloxycarbonylamino)propanoic acid (2304-94-1) + L-valine benzyl ester (21760-98-5) → N-Carbobenzoxy-β-alanyl-L-valinbenzylester (61058-46-6)

Guidance literature:

With dicyclohexyl-carbodiimide; In dichloromethane;

DOI:10.1021/ja00440a044

Reference yield:

N-Carbobenzoxy-β-alanyl-L-valinbenzylester (61058-46-6) → Cbz-β-Ala-L-Val-OH (61058-48-8)

Guidance literature:

(hydrolysis);

DOI:10.1021/ja00440a044

Reference yield:

N-Carbobenzoxy-β-alanyl-L-valinbenzylester (61058-46-6) → β-Alanyl-L-valin (17136-26-4,102029-85-6)

Guidance literature:

Multi-step reaction with 2 steps

1: (hydrolysis)

2: (catalytic hydrogenation)

DOI:10.1021/ja00440a044

upstream raw materials:

3-(benzyloxycarbonylamino)propanoic acid

L-valine benzyl ester

Downstream raw materials:

Cbz-β-Ala-L-Val-OH

β-Alanyl-L-valin

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