methyl N-[(benzyloxy)carbonyl]-beta-alanylalaninate

Base Information

Chemical Name:methyl N-[(benzyloxy)carbonyl]-beta-alanylalaninate
CAS No.:56120-14-0
Molecular Formula:C15H20N2O5
Molecular Weight:308.3297
Hs Code.:
NSC Number:164065
DSSTox Substance ID:DTXSID60304051

Synonyms:56120-14-0;NSC164065;methyl N-[(benzyloxy)carbonyl]-beta-alanylalaninate;DTXSID60304051;NSC-164065

Suppliers and Price of methyl N-[(benzyloxy)carbonyl]-beta-alanylalaninate

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 5 raw suppliers

Chemical Property of methyl N-[(benzyloxy)carbonyl]-beta-alanylalaninate

Chemical Property:

Vapor Pressure:1.31E-10mmHg at 25°C
Boiling Point:512.3°C at 760 mmHg
Flash Point:263.6°C
Density:1.186g/cm³
XLogP3:1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:9
Exact Mass:308.13722174
Heavy Atom Count:22
Complexity:380

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)OC)NC(=O)CCNC(=O)OCC1=CC=CC=C1

Technology Process of methyl N-[(benzyloxy)carbonyl]-beta-alanylalaninate

There total 5 articles about methyl N-[(benzyloxy)carbonyl]-beta-alanylalaninate 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: 91.0%

: 2304-94-1
3-(benzyloxycarbonylamino)propanoic acid

: 2491-20-5
L-alanine methyl ester hydrochloride

: 56120-14-0
methyl N-(3-(((benzyloxy)carbonyl)amino)propanoyl)-L-alaninate

Guidance literature:: With 1-ethyl-piperidine; dicyclohexyl-carbodiimide; In dichloromethane; 1) -5 deg C; 2) 0 deg C, 2 h; 3) 12h, room temp.;

Reference yield:

: 2491-20-5
L-alanine methyl ester hydrochloride

: Z-β-Ala-F

: 56120-14-0
methyl N-(3-(((benzyloxy)carbonyl)amino)propanoyl)-L-alaninate

Guidance literature:: With N-ethyl-N,N-diisopropylamine; In dichloromethane; at 0 - 20 ℃; for 3h;
DOI:10.1039/d0gc03912h

Reference yield:

: 4-hydroxyphenyl 3-(((benzyloxy)carbonyl)amino)propanoate

: 56120-14-0
methyl N-(3-(((benzyloxy)carbonyl)amino)propanoyl)-L-alaninate

Guidance literature:: Multi-step reaction with 2 steps

1: pyridinium polyhydrogenfluoride; bis(tertbutylcarbonyloxy)iodobenzene / acetonitrile / 0.5 h / -10 °C / Inert atmosphere

2: N-ethyl-N,N-diisopropylamine / dichloromethane / 3 h / 0 - 20 °C

With pyridinium polyhydrogenfluoride; bis(tertbutylcarbonyloxy)iodobenzene; N-ethyl-N,N-diisopropylamine; In dichloromethane; acetonitrile;
DOI:10.1039/d0gc03912h