2-Benzothiazolepropanoic acid, alpha-[[(phenylmethoxy)carbonyl]amino]-, phenylmethyl ester, (R)-

Base Information

Chemical Name:2-Benzothiazolepropanoic acid, alpha-[[(phenylmethoxy)carbonyl]amino]-, phenylmethyl ester, (R)-
CAS No.:81440-40-6
Molecular Formula:C25H22N2O4S
Molecular Weight:446.527
Hs Code.:
DSSTox Substance ID:DTXSID401120348

Synonyms:DTXSID401120348;81440-40-6

Suppliers and Price of 2-Benzothiazolepropanoic acid, alpha-[[(phenylmethoxy)carbonyl]amino]-, phenylmethyl ester, (R)-

Supply Marketing:

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

Manufacturers and distributors:

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Chemical Property of 2-Benzothiazolepropanoic acid, alpha-[[(phenylmethoxy)carbonyl]amino]-, phenylmethyl ester, (R)-

Chemical Property:

XLogP3:5.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:10
Exact Mass:446.13002836
Heavy Atom Count:32
Complexity:607

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C(C=C1)COC(=O)C(CC2=NC3=CC=CC=C3S2)NC(=O)OCC4=CC=CC=C4
Isomeric SMILES:C1=CC=C(C=C1)COC(=O)[C@@H](CC2=NC3=CC=CC=C3S2)NC(=O)OCC4=CC=CC=C4

Technology Process of 2-Benzothiazolepropanoic acid, alpha-[[(phenylmethoxy)carbonyl]amino]-, phenylmethyl ester, (R)-

There total 4 articles about 2-Benzothiazolepropanoic acid, alpha-[[(phenylmethoxy)carbonyl]amino]-, phenylmethyl ester, (R)- 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:

: 81440-39-3
(R)-2-Benzyloxycarbonylamino-N-(2-mercapto-phenyl)-succinamic acid benzyl ester

: 81440-40-6
(R)-3-Benzothiazol-2-yl-2-benzyloxycarbonylamino-propionic acid benzyl ester

Guidance literature:: With triethylamine; In 1,4-dioxane; Yield given; Ambient temperature; pH 10;
DOI:10.1021/jm00369a016

Reference yield:

: 75626-73-2
benzyl (-)-(R)-4-chloro-4-oxo-2-<<(benzyloxy)carbonyl>amino>butyrate

: 81440-40-6
(R)-3-Benzothiazol-2-yl-2-benzyloxycarbonylamino-propionic acid benzyl ester

Guidance literature:: Multi-step reaction with 3 steps

1: 78 percent / i-Pr₂NEt / 4 h / 4 °C

2: Zn, glacial AcOH / 50 °C

3: Et₃N / dioxane / Ambient temperature; pH 10

With acetic acid; triethylamine; N-ethyl-N,N-diisopropylamine; zinc; In 1,4-dioxane;
DOI:10.1021/jm00369a016

Reference yield:

: 81440-38-2
α-benzyl N-(benzyloxycarbonyl)-D-aspartate o-mercaptoanilide, disulfide derivative

: 81440-40-6
(R)-3-Benzothiazol-2-yl-2-benzyloxycarbonylamino-propionic acid benzyl ester

Guidance literature:: Multi-step reaction with 2 steps

1: Zn, glacial AcOH / 50 °C

2: Et₃N / dioxane / Ambient temperature; pH 10

With acetic acid; triethylamine; zinc; In 1,4-dioxane;
DOI:10.1021/jm00369a016