(S)-2-(4-acetamidophenylsulfonamido)-3-methylbutanoic acid

Base Information

Chemical Name:(S)-2-(4-acetamidophenylsulfonamido)-3-methylbutanoic acid
CAS No.:64527-18-0
Molecular Formula:C13H18N2O5S
Molecular Weight:314.362
Hs Code.:
DSSTox Substance ID:DTXSID401259135
ChEMBL ID:CHEMBL1345524
Mol file:64527-18-0.mol

Synonyms:64527-18-0;(2S)-2-(4-acetamidobenzenesulfonamido)-3-methylbutanoic acid;MLS000054229;CHEMBL1345524;(S)-2-(4-acetamidophenylsulfonamido)-3-methylbutanoic acid;DTXSID401259135;HMS2281N12;MFCD09749758;AKOS010374104;((4-Acetamidophenyl)sulfonyl)-l-valine;SMR000062289;CS-0272013;EN300-303292;N-[[4-(Acetylamino)phenyl]sulfonyl]-L-valine;(2S)-2-(4-acetamidobenzenesulfonamido)-3-methylbutanoicacid

Suppliers and Price of (S)-2-(4-acetamidophenylsulfonamido)-3-methylbutanoic 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 5 raw suppliers

Chemical Property of (S)-2-(4-acetamidophenylsulfonamido)-3-methylbutanoic acid

Chemical Property:

Melting Point:300 - 303 °C
PSA：120.95000
LogP:2.57720
XLogP3:1
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:6
Exact Mass:314.09364285
Heavy Atom Count:21
Complexity:475

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC(C)C(C(=O)O)NS(=O)(=O)C1=CC=C(C=C1)NC(=O)C
Isomeric SMILES:CC(C)[C@@H](C(=O)O)NS(=O)(=O)C1=CC=C(C=C1)NC(=O)C

Technology Process of (S)-2-(4-acetamidophenylsulfonamido)-3-methylbutanoic acid

There total 2 articles about (S)-2-(4-acetamidophenylsulfonamido)-3-methylbutanoic 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:

: 72-18-4,25609-85-2,7004-03-7,921-10-8
L-valine

: 121-60-8
p-acetylaminobenzenesulfonyl chloride

: 64527-18-0
(S)-2-(4-Acetylamino-benzenesulfonylamino)-3-methyl-butyric acid

Guidance literature:: With sodium hydrogencarbonate; In water; acetone; at 20 ℃;
DOI:10.1016/S0928-0987(99)00090-1

Reference yield:

: 64527-18-0
2-({[4-(acetylamino)phenyl]sulfonyl}amino)-3-methylbutanoic acid

Guidance literature:: /BRN= 3420832/;

Reference yield: 65.0%

: 64527-18-0
2-({[4-(acetylamino)phenyl]sulfonyl}amino)-3-methylbutanoic acid

: 142-71-2
copper diacetate

: 67-68-5,8070-53-9
dimethyl sulfoxide

: 4C₁₃H₁₇N₂O₅S^(1-)*2C₂H₆OS*2Cu⁽²⁺⁾

Guidance literature:: 2-({[4-(acetylamino)phenyl]sulfonyl}amino)-3-methylbutanoic acid; With sodium hydrogencarbonate; In water; at 20 ℃;

copper diacetate; In water; for 6h;

dimethyl sulfoxide; In ethanol; water;
DOI:10.1080/00958972.2021.1931687