Tert-butyl (3r)-3-((4-(aminosulfonyl)-2-nitrophenyl)amino)-4-(phenylthio)butanoate

Base Information

Chemical Name:Tert-butyl (3r)-3-((4-(aminosulfonyl)-2-nitrophenyl)amino)-4-(phenylthio)butanoate
CAS No.:406233-32-7
Molecular Formula:C20H25N3O6S2
Molecular Weight:467.567
Hs Code.:
DSSTox Substance ID:DTXSID201122831
Mol file:406233-32-7.mol

Synonyms:SCHEMBL1957303;PPUBCOHSRFCLTD-CQSZACIVSA-N;DTXSID201122831;tert-butyl (3r)-3-((4-(aminosulfonyl)-2-nitrophenyl)amino)-4-(phenylthio)butanoate;406233-32-7;1,1-Dimethylethyl (3R)-3-[[4-(aminosulfonyl)-2-nitrophenyl]amino]-4-(phenylthio)butanoate

Suppliers and Price of Tert-butyl (3r)-3-((4-(aminosulfonyl)-2-nitrophenyl)amino)-4-(phenylthio)butanoate

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 Tert-butyl (3r)-3-((4-(aminosulfonyl)-2-nitrophenyl)amino)-4-(phenylthio)butanoate

Chemical Property:

XLogP3:3.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:10
Exact Mass:467.11847787
Heavy Atom Count:31
Complexity:708

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC(C)(C)OC(=O)CC(CSC1=CC=CC=C1)NC2=C(C=C(C=C2)S(=O)(=O)N)[N+](=O)[O-]
Isomeric SMILES:CC(C)(C)OC(=O)C[C@H](CSC1=CC=CC=C1)NC2=C(C=C(C=C2)S(=O)(=O)N)[N+](=O)[O-]

Technology Process of Tert-butyl (3r)-3-((4-(aminosulfonyl)-2-nitrophenyl)amino)-4-(phenylthio)butanoate

There total 10 articles about Tert-butyl (3r)-3-((4-(aminosulfonyl)-2-nitrophenyl)amino)-4-(phenylthio)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: 80.0%

: 406233-31-6
4-fluoro-3-nitrobenzenesulfonamide

: 406233-30-5
(R)-3-(9H-fluoren-9-ylmethyloxycarbonylamino)-4-phenylsulfanylbutyric acid tert-butyl ester

: 406233-32-7
(R)-3-(2-nitro-4-sulfamoylphenylamino)-4-phenylsulfanylbutyric acid tert-butyl ester

Guidance literature:: With N-ethyl-N,N-diisopropylamine; In N,N-dimethyl-formamide; at 60 ℃; for 15h;
DOI:10.1002/chem.201803032

Reference yield:

: 406233-31-6
4-fluoro-3-nitrobenzenesulfonamide

: 1027345-35-2
(R)-tert-butyl 3-amino-4-(phenylthio)butanoate

: 406233-32-7
(R)-3-(2-nitro-4-sulfamoylphenylamino)-4-phenylsulfanylbutyric acid tert-butyl ester

Guidance literature:: With N-ethyl-N,N-diisopropylamine; In N,N-dimethyl-formamide; at 25 ℃;

Reference yield:

: 71989-14-5,112883-39-3
N-(9-fluorenylmethoxycarbonyl)-4-O-tert-butyl-D-aspartic acid

: 406233-32-7
(R)-3-(2-nitro-4-sulfamoylphenylamino)-4-phenylsulfanylbutyric acid tert-butyl ester

Guidance literature:: Multi-step reaction with 3 steps

1.1: DIPEA; isobutyl chloroformate / tetrahydrofuran / 0.5 h / -40 - 0 °C

1.2: 95 percent / NaBH₄ / tetrahydrofuran; methanol / 2 h / -20 - 20 °C

2.1: 72 percent / Bu₃P; 1,1'-(azodicarbonyl)dipiperidine / CH₂Cl₂ / 24 h / 20 °C

3.1: 68 percent / DIPEA / dimethylformamide / 12 h / 20 °C

With tributylphosphine; N-ethyl-N,N-diisopropylamine; 1,1'-azodicarbonyl-dipiperidine; isobutyl chloroformate; In tetrahydrofuran; dichloromethane; N,N-dimethyl-formamide; 2.1: Mitsunobu reaction;
DOI:10.1021/jm050754u