(2S)-2-[[4-[methyl(phenylmethoxycarbonyl)amino]benzoyl]amino]pentanedioic acid

Base Information

Chemical Name:(2S)-2-[[4-[methyl(phenylmethoxycarbonyl)amino]benzoyl]amino]pentanedioic acid
CAS No.:2528-31-6
Molecular Formula:C21H22N2O7
Molecular Weight:414.415
Hs Code.:
DSSTox Substance ID:DTXSID10468612
Wikidata:Q82295909
Mol file:2528-31-6.mol

Synonyms:CTK0J4209;2528-31-6;SCHEMBL19899438;DTXSID10468612

Suppliers and Price of (2S)-2-[[4-[methyl(phenylmethoxycarbonyl)amino]benzoyl]amino]pentanedioic acid

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 1 raw suppliers

Chemical Property of (2S)-2-[[4-[methyl(phenylmethoxycarbonyl)amino]benzoyl]amino]pentanedioic acid

Chemical Property:

XLogP3:1.9
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:10
Exact Mass:414.14270105
Heavy Atom Count:30
Complexity:611

Purity/Quality:: 95% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CN(C1=CC=C(C=C1)C(=O)NC(CCC(=O)O)C(=O)O)C(=O)OCC2=CC=CC=C2
Isomeric SMILES:CN(C1=CC=C(C=C1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)OCC2=CC=CC=C2

Technology Process of (2S)-2-[[4-[methyl(phenylmethoxycarbonyl)amino]benzoyl]amino]pentanedioic acid

There total 4 articles about (2S)-2-[[4-[methyl(phenylmethoxycarbonyl)amino]benzoyl]amino]pentanedioic acid 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:

: 875667-98-4
di-tert-butyl N-[4-(N-benzyloxycarbonyl-N-methyl)aminobenzoyl]-L-glutamate

: 2528-31-6,51865-83-9
(S)-2-[4-(Benzyloxycarbonyl-methyl-amino)-benzoylamino]-pentanedioic acid

Guidance literature:: With trifluoroacetic acid; In dichloromethane; at 20 ℃;
DOI:10.1021/jm050871p

Reference yield:

: 875667-97-3
(4-azidocarbonyl-phenyl)-methyl-carbamic acid benzyl ester

: 2528-31-6,51865-83-9
(S)-2-[4-(Benzyloxycarbonyl-methyl-amino)-benzoylamino]-pentanedioic acid

Guidance literature:: Multi-step reaction with 2 steps

1: 2.1 g / Et₃N / dimethylformamide / 20 °C

2: TFA / CH₂Cl₂ / 20 °C

With triethylamine; trifluoroacetic acid; In dichloromethane; N,N-dimethyl-formamide;
DOI:10.1021/jm050871p

Reference yield:

: 16874-06-9
di-tert-butyl L-glutamate

: 2528-31-6,51865-83-9
(S)-2-[4-(Benzyloxycarbonyl-methyl-amino)-benzoylamino]-pentanedioic acid

Guidance literature:: Multi-step reaction with 2 steps

1: 2.1 g / Et₃N / dimethylformamide / 20 °C

2: TFA / CH₂Cl₂ / 20 °C

With triethylamine; trifluoroacetic acid; In dichloromethane; N,N-dimethyl-formamide;
DOI:10.1021/jm050871p