(2S)-2-hydroxy-2-methylbutanoic acid

Base Information

• Chemical Name: (2S)-2-hydroxy-2-methylbutanoic acid
• CAS No.: 37505-07-0
• Molecular Formula: C5H10O3
• Molecular Weight: 118.133
• Hs Code.: 2918199090
• Nikkaji Number: J57.256J
• Mol file: 37505-07-0.mol

Synonyms:37505-07-0;(2S)-2-hydroxy-2-methylbutanoic acid;Butanoic acid,2-hydroxy-2-methyl-,(2S)-;(S)-2-Hydroxy-2-methylbutyric acid;SCHEMBL581582;(s)-methyl-2-hydroxybutyric acid;(2S)-2-Hydroxy-2-methylbutyric acid;AKOS006295726;D78565

Chemical Property of (2S)-2-hydroxy-2-methylbutanoic acid

Chemical Property:

• Boiling Point: 237.6 °C at 760 mmHg
• Flash Point: 111.8 °C
• PSA: 57.53000
• Density: 1.144 g/cm³
• LogP: 0.23200
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 118.062994177
• Heavy Atom Count: 8
• Complexity: 99.8

Purity/Quality:

99% ^*data from raw suppliers

Butanoicacid,2-hydroxy-2-methyl-,(2S)- 96% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C)(C(=O)O)O
• Isomeric SMILES: CC[C@@](C)(C(=O)O)O
• Uses: (2S)-2-Hydroxy-2-methylbutanoic Acid is a useful building block for organic synthesis.

Technology Process of (2S)-2-hydroxy-2-methylbutanoic acid

There total 19 articles about (2S)-2-hydroxy-2-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: 99.4%

→ (S)-2-hydroxy-2-methylbutyric acid (37505-07-0)

Guidance literature:

Reference yield: 98.0%

R-1-naphthalen-1-yl-ethylamine salt of S-2-hydroxy-2-methylbutyric acid → (S)-2-hydroxy-2-methylbutyric acid (37505-07-0)

Guidance literature:

With sodium hydroxide; In water;

DOI:10.1016/S0040-4020(02)00826-8

Reference yield: 82.0%

(S)-2-hydroxy-2-methyl-4-(phenylthio)butanoic acid (691359-47-4) → (S)-2-hydroxy-2-methylbutyric acid (37505-07-0)

Guidance literature:

With hydrogen; nickel; at 75 ℃; for 2h;

DOI:10.1002/chem.200601114

upstream raw materials:

2-hydroxy-2-methylbutyric acid

(S)-5-Ethyl-5-methyl-3-((S)-1-phenyl-ethyl)-oxazolidin-4-one

(S)-2-Benzyloxy-2-methyl-butyric acid

(S)-2-tert-Butoxy-N-((S)-1-methoxymethyl-2,2-dimethyl-propyl)-2,N-dimethyl-butyramide

Downstream raw materials:

(S)-1-ethyl-1-methyl-2-[(4-methylsulfonyl)phenyl]-2-oxoethyl 2-(1-methylethoxy)acetate

(S)-5-ethyl-5-methyl-3-(1-methylethoxy)-4-[(4-methylsulfonyl)phenyl]-3-oxolen-2-one

(S)-1-ethyl-1-methyl-2-[(4-methylthio)phenyl]-2-oxoethyl 2-(1-methylethoxy)acetate

(S)-5-ethyl-5-methyl-3-(1-methylethoxy)-4-(4-(methylthio)phenyl)-3-oxolen-2-one

Refernces

• 1、 Cabirol, Fabien L.,Pei, Loo Tan,Tay, Benson,Cheng, Shiryn,Hanefeld, Ulf,Sheldon, Roger A.. "Linum usitatissimum hydroxynitrile lyase cross-linked enzyme aggregates: A recyclable enantioselective catalyst". experimental part. p. 2329 - 2338. Retrieved 2009/10/23.
• 2、 -. "Process for the preparation of chiral α-hydroxycarboxylic acids". . . Retrieved 2008/06/13.