(2S)-2-hydroxy-2-methyl-3-phenylpropanoic acid

Base Information

Chemical Name:(2S)-2-hydroxy-2-methyl-3-phenylpropanoic acid
CAS No.:164333-77-1
Molecular Formula:C10H12 O3
Molecular Weight:180.203
Hs Code.:2918199090
DSSTox Substance ID:DTXSID10426959
Nikkaji Number:J1.418.685I
Wikidata:Q82239735
Mol file:164333-77-1.mol

Synonyms:(2S)-2-hydroxy-2-methyl-3-phenylpropanoic acid;164333-77-1;Benzenepropanoic acid, alpha-hydroxy-alpha-methyl-, (alphaS)-;(S)-2-Hydroxy-2-methyl-3-phenylpropionic acid;SCHEMBL3361395;DTXSID10426959;MFCD05663552;AKOS006294690;(+)-2-Methyl-3-phenyl-L-lactic acid;D78560;(S)-2-Hydroxy-2-methyl-3-phenylpropanoic acid;Benzenepropanoic acid,a-hydroxy-a-methyl-,(as)-;Z1198165764

Suppliers and Price of (2S)-2-hydroxy-2-methyl-3-phenylpropanoic 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

American Custom Chemicals Corporation
(S)-2-HYDROXY-2-METHYL-3-PHENYLPROPIONIC ACID 95.00%
5MG
$ 505.78

AK Scientific
2-hydroxy-2-methyl-3-phenylpropanoicacid
1mg
$ 120.00

Total 7 raw suppliers

Chemical Property of (2S)-2-hydroxy-2-methyl-3-phenylpropanoic acid

Chemical Property:

Boiling Point:333.5±22.0 °C(Predicted)
PKA:3.76±0.11(Predicted)
PSA：57.53000
Density:1.222±0.06 g/cm3(Predicted)
LogP:1.06470
XLogP3:1.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:180.078644241
Heavy Atom Count:13
Complexity:185

Purity/Quality:

99% ^*data from raw suppliers

(S)-2-HYDROXY-2-METHYL-3-PHENYLPROPIONIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC(CC1=CC=CC=C1)(C(=O)O)O
Isomeric SMILES:C[C@](CC1=CC=CC=C1)(C(=O)O)O

Technology Process of (2S)-2-hydroxy-2-methyl-3-phenylpropanoic acid

There total 7 articles about (2S)-2-hydroxy-2-methyl-3-phenylpropanoic 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: 96.0%

: 285130-47-4,205505-45-9
ethyl (S)-2-hydroxy-2-methyl-3-phenylpropanoate

: 164333-77-1
(S)-α-methylphenyllactic acid

Guidance literature:: With lithium hydroxide; In tetrahydrofuran; methanol; water; at 20 ℃; for 12h;
DOI:10.1016/S0968-0896(00)00006-7

Reference yield:

: 285130-45-2
(S)-Hippuryl-alpha-methylphenyllactic acid

: 495-69-2,140480-84-8,21251-67-2,91787-63-2,66407-11-2
Hippuric Acid

: 164333-77-1
(S)-α-methylphenyllactic acid

Guidance literature:: With carboxypeptidase A; In water; at 25 ℃; pH=7.5; Enzyme kinetics;
DOI:10.1016/S0968-0896(00)00006-7

Reference yield:

: 92572-43-5
(2S,5S)-5-benzyl-2-(t-butyl)-5-methyl-1,3-dioxolan-4-one

: 164333-77-1
(S)-α-methylphenyllactic acid

Guidance literature:: Multi-step reaction with 2 steps

1: 66 percent / NaOEt / 0.17 h / Heating

2: 96 percent / LiOH / H₂O; tetrahydrofuran; methanol / 12 h / 20 °C

With lithium hydroxide; sodium ethanolate; In tetrahydrofuran; methanol; water; 1: Ring cleavage / 2: Hydrolysis;
DOI:10.1016/S0968-0896(00)00006-7