D-Valine, N-[(4-fluorophenyl)sulfonyl]-

Base Information

Chemical Name:D-Valine, N-[(4-fluorophenyl)sulfonyl]-
CAS No.:190275-60-6
Molecular Formula:C11H14FNO4S
Molecular Weight:275.301
Hs Code.:
DSSTox Substance ID:DTXSID70353212
Wikidata:Q82130683
Mol file:190275-60-6.mol

Synonyms:D-Valine, N-[(4-fluorophenyl)sulfonyl]-;190275-60-6;N-[(4-fluorophenyl)sulfonyl]-D-valine;(2R)-2-[(4-fluorophenyl)sulfonylamino]-3-methylbutanoic acid;SCHEMBL6797666;DTXSID70353212;VNRQLAGSSZUTTO-SNVBAGLBSA-N;EiM07-30000;AKOS017539704;N-[(4-fluorophenyl)-sulfonyl]-D-valine

Suppliers and Price of D-Valine, N-[(4-fluorophenyl)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 D-Valine, N-[(4-fluorophenyl)sulfonyl]-

Chemical Property:

XLogP3:1.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:5
Exact Mass:275.06275726
Heavy Atom Count:18
Complexity:382

Purity/Quality:: 99.90% ^*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)F
Isomeric SMILES:CC(C)[C@H](C(=O)O)NS(=O)(=O)C1=CC=C(C=C1)F

Technology Process of D-Valine, N-[(4-fluorophenyl)sulfonyl]-

There total 4 articles about D-Valine, N-[(4-fluorophenyl)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: 95.0%

: 863912-74-7
N-(4-fluorobenzenesulfonyl)-α-dehydrovaline

: 190275-60-6
N-(4-fluorophenylsulfonyl)-D-valine

Guidance literature:: With hydrogen; triethylamine; (-)-2,2',5,5'-tetramethyl-4,4'-bis(diphenylphosphino)-3,3'-bithiophene; [ruthenium(II)(η⁶-1-methyl-4-isopropyl-benzene)(chloride)(μ-chloride)]₂; In ethanol; 1,2-dichloro-ethane; at 25 ℃; for 24h; under 4654.33 Torr;
DOI:10.1021/ol050869s

Reference yield: 89.0%

: 640-68-6,25609-85-2,7004-03-7,921-10-8
D-Val-OH

: 349-88-2
4-Fluorobenzenesulfonyl chloride

: 190275-60-6
N-(4-fluorophenylsulfonyl)-D-valine

Guidance literature:: With triethylamine; In water; acetone;

Reference yield:

: 759-05-7
3-methyl-2-ketobutanoic acid

: 190275-60-6
N-(4-fluorophenylsulfonyl)-D-valine

Guidance literature:: Multi-step reaction with 2 steps

1: 4.90 g / methanesulfonic acid / various solvent(s); toluene / 24 h / Heating

2: 95 percent / H₂; (-)-[4'-(PPh₂)-2,2',5,5'-Me₄-3,3'-bithien-4-yl]PPh₂; Et₃N / [(p-cymene)RuCl₂]2 / ethanol; 1,2-dichloro-ethane / 24 h / 25 °C / 4654.33 Torr

With methanesulfonic acid; hydrogen; triethylamine; (-)-2,2',5,5'-tetramethyl-4,4'-bis(diphenylphosphino)-3,3'-bithiophene; [ruthenium(II)(η⁶-1-methyl-4-isopropyl-benzene)(chloride)(μ-chloride)]₂; In ethanol; 1,2-dichloro-ethane; toluene;
DOI:10.1021/ol050869s