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

Base Information

Chemical Name:(S)-2-(4-Fluorophenyl)-3-methylbutanoic acid
CAS No.:55332-37-1
Molecular Formula:C11H13FO2
Molecular Weight:196.221
Hs Code.:2916399090
DSSTox Substance ID:DTXSID601335367
Nikkaji Number:J900.313D
Mol file:55332-37-1.mol

Synonyms:(S)-2-(4-Fluorophenyl)-3-methylbutanoic acid;55332-37-1;(S)-2-(4-FLUOROPHENYL) 3-METHYLBUTYRIC ACID;110311-45-0;(S)-2-(4-FLUOROPHENYL)-3-METHYLBUTYRIC ACID;(2S)-2-(4-fluorophenyl)-3-methylbutanoic acid;SCHEMBL2379483;YBQLHBYGMUXCEW-JTQLQIEISA-N;DTXSID601335367;AMY14657;CS-D1302;MFCD00792491;AKOS005137912;AKOS006275598;BS-49527;(S)-2-(4-Fluorophenyl)-3-methylbutanoicacid;(S)-2-(p-fluorophenyl)-3-methylbutyric acid;(S)-2-(p-fluorophenyl)-3-methylbutanoic acid;(S)-2-(4-Fluoro-phenyl) 3-methylbutyric acid;(2S)-2-(4-fluorophenyl)-3-methyl-butanoic acid;A830595;(S)-2-(4-FLUOROPHENYL)3-METHYLBUTYRICACID;Benzeneacetic acid, 4-fluoro-.alpha.-(1-methylethyl)-, (.alpha.S)-

Suppliers and Price of (S)-2-(4-Fluorophenyl)-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

Crysdot
(S)-2-(4-Fluorophenyl)-3-methylbutanoicacid 97%
250mg
$ 309.00

Crysdot
(S)-2-(4-Fluorophenyl)-3-methylbutanoicacid 97%
1g
$ 772.00

Alichem
(S)-2-(4-Fluorophenyl)-3-methylbutanoicacid
1g
$ 1019.20

Alichem
(S)-2-(4-Fluorophenyl)-3-methylbutanoicacid
250mg
$ 411.60

Total 8 raw suppliers

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

Chemical Property:

Vapor Pressure:0.001mmHg at 25°C
Refractive Index:1.508
Boiling Point:283.871°C at 760 mmHg
PKA:4.23±0.10(Predicted)
Flash Point:125.481°C
PSA：37.30000
Density:1.143g/cm³
LogP:2.64990
Storage Temp.:Sealed in dry,Room Temperature
XLogP3:2.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:196.08995782
Heavy Atom Count:14
Complexity:196

Purity/Quality:

99% ^*data from raw suppliers

(S)-2-(4-Fluorophenyl)-3-methylbutanoicacid 97% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

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

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

There total 5 articles about (S)-2-(4-Fluorophenyl)-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: 85.5%

: 170432-99-2
3-methyl-2-(p-fluorophenyl)crotonic acid

: 55332-37-1
(2S)-2-(4-fluorophenyl)-3-methylbutanoic acid

Guidance literature:: With hydrogen; triethylamine; Ru(OAc)2((R)-diphosphine); In methanol; at 20 ℃; for 8h; under 135011 Torr;
DOI:10.1016/S0957-4166(97)00498-9

Reference yield:

: 170432-99-2
3-methyl-2-(p-fluorophenyl)crotonic acid

: 55332-37-1
(2S)-2-(4-fluorophenyl)-3-methylbutanoic acid

: 110311-45-0
[R]-(-)-2-(p-fluorophenyl)-3-methylbutyric acid

Guidance literature:: With (p-cymene)ruthenium diacetate; (R)-6,6'-dimethoxy-P₂,P₂,P₂',P₂'-tetrakis-[4-(carbonyloxy)phenyl]biphenyl-2,2'-bisphosphine; hydrogen; triethylamine; In methanol; at 25 ℃; for 15h; under 135014 Torr; optical yield given as %ee; enantioselective reaction; Inert atmosphere;
DOI:10.1002/adsc.201100535