L-Valine, N-[(4-methoxyphenyl)sulfonyl]-

Base Information

Chemical Name:L-Valine, N-[(4-methoxyphenyl)sulfonyl]-
CAS No.:68030-19-3
Molecular Formula:C12H17NO5S
Molecular Weight:287.337
Hs Code.:
DSSTox Substance ID:DTXSID30360684
Wikidata:Q82142548
ChEMBL ID:CHEMBL1304069

Synonyms:68030-19-3;L-Valine, N-[(4-methoxyphenyl)sulfonyl]-;(2S)-2-(4-methoxybenzenesulfonamido)-3-methylbutanoic acid;(2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanoic acid;N-[(4-methoxyphenyl)sulfonyl]valine;Oprea1_289801;Oprea1_542215;MLS000060449;SCHEMBL5839717;CHEMBL1304069;DTXSID30360684;HMS2185L03;MFCD09749752;((4-Methoxyphenyl)sulfonyl)-l-valine;AKOS010372434;SMR000066310;CS-0273257;EN300-87619;AF-399/40882001;SR-01000480143;SR-01000480143-1;Z115590218;(2S)-2-(4-methoxybenzenesulfonamido)-3-methylbutanoicacid

Suppliers and Price of L-Valine, N-[(4-methoxyphenyl)sulfonyl]-

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 2 raw suppliers

Chemical Property of L-Valine, N-[(4-methoxyphenyl)sulfonyl]-

Chemical Property:

XLogP3:1.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:6
Exact Mass:287.08274382
Heavy Atom Count:19
Complexity:393

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

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

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

Technology Process of L-Valine, N-[(4-methoxyphenyl)sulfonyl]-

There total 1 articles about L-Valine, N-[(4-methoxyphenyl)sulfonyl]- 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: 94.0%

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

: 98-68-0
4-methoxy-phenyl-sulphonyl chloride

: 68030-19-3
(S)-2-(4-methoxy-benzenesulfonylamino)-3-methylbutyric acid

Guidance literature:: With sodium hydroxide; N-ethyl-N,N-diisopropylamine; In water; acetone; at 20 ℃; for 6h;
DOI:10.1021/jo030002c

Reference yield: 87.0%

: 68030-19-3
(S)-2-(4-methoxy-benzenesulfonylamino)-3-methylbutyric acid

: 548461-48-9
(S)-N-(1-hydroxymethyl-2-methyl-propyl)-4-methoxy-benzenesulfonamide

Guidance literature:: With lithium aluminium tetrahydride; In tetrahydrofuran; diethyl ether; Heating;
DOI:10.1021/jo030002c

Reference yield:

: 68030-19-3
(S)-2-(4-methoxy-benzenesulfonylamino)-3-methylbutyric acid

: N-hydroxy-2-(4-methoxy-benzenesulfonylamino)-3-methyl-butyramide

Guidance literature:: Multi-step reaction with 3 steps

1: acetonitrile; H₂O

2: H₂NOH*HCl; EDCI*HCl; Et₃N / acetonitrile; H₂O / 0 - 4 °C

3: TFA / CH₂Cl₂ / 0.5 h / 20 °C

With hydroxylamine hydrochloride; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine; trifluoroacetic acid; In dichloromethane; water; acetonitrile; 1: Condensation / 2: Condensation / 3: acidolysis;
DOI:10.1021/jm000027t