(S)-(+)-2-Phenylbutyric acid

Base Information Edit

Chemical Name:(S)-(+)-2-Phenylbutyric acid
CAS No.:4286-15-1
Molecular Formula:C10H12 O2
Molecular Weight:164.204
Hs Code.:29163900
European Community (EC) Number:610-071-5
UNII:56PGV95391
DSSTox Substance ID:DTXSID301313360
Wikidata:Q27261417
Mol file:4286-15-1.mol

Synonyms:4286-15-1;(S)-(+)-2-Phenylbutyric acid;(S)-2-Phenylbutanoic acid;(2s)-2-phenylbutanoic acid;(S)-2-phenylbutyric acid;2-Phenylbutyric acid, (S)-;(S)-(+)-2-Phenylbutanoic acid;MFCD00063164;56PGV95391;Butyric acid, 2-phenyl-, (S)-(+)-;(S)-2-Phenylbutanoicacid;SCHEMBL67237;s-(+)-2-phenylbutyric acid;UNII-56PGV95391;DTXSID301313360;AKOS025211780;(S)-(+)-2-Phenylbutyric acid, 99%;Benzeneacetic acid, alpha-ethyl-, (S)-;AS-33129;Benzeneacetic acid, alpha-ethyl-, (alphaS)-;CS-0279154;EN300-307434;BENZENEACETIC ACID, .ALPHA.-ETHYL-, (S)-;Q27261417;BENZENEACETIC ACID, .ALPHA.-ETHYL-, (.ALPHA.S)-

Suppliers and Price of (S)-(+)-2-Phenylbutyric acid

Supply Marketing:Edit

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

TRC
(S)-2-PhenylbutanoicAcid
500mg
$ 90.00

Sigma-Aldrich
(S)-(+)-2-Phenylbutyric acid 99%
1g
$ 82.40

Sigma-Aldrich
(S)-(+)-2-Phenylbutyric acid 99%
5g
$ 284.00

Crysdot
(S)-2-Phenylbutanoicacid 95+%
10g
$ 298.00

American Custom Chemicals Corporation
(S)-(+)-2-PHENYLBUTYRIC ACID 95.00%
10G
$ 1751.39

American Custom Chemicals Corporation
(S)-(+)-2-PHENYLBUTYRIC ACID 95.00%
5G
$ 1157.33

American Custom Chemicals Corporation
(S)-(+)-2-PHENYLBUTYRIC ACID 95.00%
1G
$ 692.64

Alichem
(S)-2-Phenylbutanoicacid
1g
$ 175.00

Alichem
(S)-2-Phenylbutanoicacid
5g
$ 536.52

Alfa Aesar
(S)-(+)-2-Phenylbutyric acid, 99%
5g
$ 269.00

Total 37 raw suppliers

Chemical Property of (S)-(+)-2-Phenylbutyric acid Edit

Chemical Property:

Vapor Pressure:0.00288mmHg at 25°C
Refractive Index:n20/D 1.516(lit.)
Boiling Point:272.9 ºC at 760 mmHg
PKA:4.34±0.10(Predicted)
Flash Point:170.2 ºC
PSA：37.30000
Density:1.09 g/cm³
LogP:2.26480
XLogP3:2.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:164.083729621
Heavy Atom Count:12
Complexity:148

Purity/Quality:

98%,99%, ^*data from raw suppliers

(S)-2-PhenylbutanoicAcid ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xn
Hazard Codes:Xn
Statements: 22-36/37/38
Safety Statements: 23-36-37/39-26

MSDS Files:: SDS file from LookChem

Useful:

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

Technology Process of (S)-(+)-2-Phenylbutyric acid

There total 71 articles about (S)-(+)-2-Phenylbutyric 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: 89.0%

: (4R)-3-((2S)-2-phenylbutanoyl)-4-phenyl-oxazolidin-2-one

: 4286-15-1
(S)-2-phenylbutyric acid

: 90319-52-1,7480-32-2
(4R)-phenyl-2-oxazolidinone

Guidance literature:: (4R)-3-((2S)-2-phenylbutanoyl)-4-phenyl-oxazolidin-2-one; With lithium hydroxide monohydrate; dihydrogen peroxide; In tetrahydrofuran; water; at 20 ℃; for 12h; Inert atmosphere;

With hydrogenchloride; In water; pH=3; Inert atmosphere;
DOI:10.1016/j.tetasy.2011.02.021

Reference yield: 82.0%

: 167476-42-8
1,1-bis(trimethylsilyloxy)-2-phenylbutene

: 4286-15-1
(S)-2-phenylbutyric acid

Guidance literature:: With methanol; 2,6-bis(1,3-dimethylphenanthren-9-yl)-4H-dinaphtho[2,1-d:1',2'-f][1,3,2]dithiazepine 3,3,5,5-tetraoxide; In dichloromethane; at 20 ℃; for 0.25h; enantioselective reaction; Inert atmosphere;
DOI:10.1002/anie.201905623