Methyl 3-methyl-2-[2-(phenylmethoxycarbonylamino)propanoylamino]butanoate

Base Information

Chemical Name:Methyl 3-methyl-2-[2-(phenylmethoxycarbonylamino)propanoylamino]butanoate
CAS No.:4864-38-4
Molecular Formula:C17H24 N2 O5
Molecular Weight:336.388
Hs Code.:
NSC Number:164082
DSSTox Substance ID:DTXSID50304065
Nikkaji Number:J984.721I
ChEMBL ID:CHEMBL1528646
Mol file:4864-38-4.mol

Synonyms:4864-38-4;methyl 3-methyl-2-[2-(phenylmethoxycarbonylamino)propanoylamino]butanoate;NSC164082;CBMicro_049456;MLS000779717;CHEMBL1528646;DTXSID50304065;HMS2795C11;STL328529;AKOS022098771;NSC-164082;SMR000419900;BIM-0049362.P001;methyl N-[(benzyloxy)carbonyl]alanylvalinate;SR-01000221543;SR-01000221543-1;Z2050670555;2-(2-Benzyloxycarbonylamino-propionylamino)-3-methyl-butyric acid methyl ester

Suppliers and Price of Methyl 3-methyl-2-[2-(phenylmethoxycarbonylamino)propanoylamino]butanoate

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

American Custom Chemicals Corporation
Z-ALA-VAL-OME 95.00%
5MG
$ 499.59

Total 7 raw suppliers

Chemical Property of Methyl 3-methyl-2-[2-(phenylmethoxycarbonylamino)propanoylamino]butanoate

Chemical Property:

Vapor Pressure:1.5E-10mmHg at 25°C
Boiling Point:510.8°Cat760mmHg
Flash Point:262.7°C
PSA：93.73000
Density:1.145g/cm³
LogP:2.39690
XLogP3:2.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:9
Exact Mass:336.16852187
Heavy Atom Count:24
Complexity:433

Purity/Quality:

99% ^*data from raw suppliers

Z-ALA-VAL-OME 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)C(C(=O)OC)NC(=O)C(C)NC(=O)OCC1=CC=CC=C1

Technology Process of Methyl 3-methyl-2-[2-(phenylmethoxycarbonylamino)propanoylamino]butanoate

There total 17 articles about Methyl 3-methyl-2-[2-(phenylmethoxycarbonylamino)propanoylamino]butanoate 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: 98.0%

: 1142-20-7
N-Cbz-Ala

: 6306-52-1
L-valine methylester hydrochloride

: 4864-38-4
(S)-2-((S)-2-Benzyloxycarbonylamino-propionylamino)-3-methyl-butyric acid methyl ester

Guidance literature:: With 1-methyl-pyrrolidin-2-one; 3,3'-(phenylphosphinylidene)bis<2(3H)-benzothiazolone; In dichloromethane; for 2h; Ambient temperature;
DOI:10.1246/bcsj.58.3291

Reference yield: 92.0%

: 6306-52-1
L-valine methylester hydrochloride

: 54043-11-7
N-(Benzyloxycarbonyl)-L-alanin-2-pyridylester

: 4864-38-4
(S)-2-((S)-2-Benzyloxycarbonylamino-propionylamino)-3-methyl-butyric acid methyl ester

Guidance literature:: In dichloromethane; triethylamine; at 22 ℃; for 22h;

Reference yield: 90.0%

: 4070-48-8
L-Valine methyl ester

: 1142-20-7
N-Cbz-Ala

: 4864-38-4
(S)-2-((S)-2-Benzyloxycarbonylamino-propionylamino)-3-methyl-butyric acid methyl ester

Guidance literature:: With pentafluorophenyl diphenyl-phosphinate; N-ethyl-N,N-diisopropylamine; In N,N-dimethyl-formamide; for 2h; Ambient temperature;
DOI:10.1080/00397919308009787