(2S)-2,4-dihydroxy-3,3-dimethylbutanoic acid

Base Information

• Chemical Name: (2S)-2,4-dihydroxy-3,3-dimethylbutanoic acid
• CAS No.: 1112-32-9
• Molecular Formula: C6H12O4
• Molecular Weight: 148.159
• Hs Code.: 2918290000
• UNII: TK2B4SU5J4
• DSSTox Substance ID: DTXSID10422517
• Nikkaji Number: J57.646H
• Wikidata: Q55973849
• Mol file: 1112-32-9.mol

Synonyms:1112-32-9;(2S)-2,4-dihydroxy-3,3-dimethylbutanoic acid;L-Pantoic acid;Butanoic acid, 2,4-dihydroxy-3,3-dimethyl-, (2S)-;(S)-2,4-Dihydroxy-3,3-dimethylbutanoic acid;(S)-pantoic acid;Pantoic acid, (S)-;TK2B4SU5J4;DTXSID10422517;OTOIIPJYVQJATP-SCSAIBSYSA-N;CS-0527781;(S)-2,4-Dihydroxy-3,3-dimethylbutanoicacid;S-(+)-2,4-Dihydroxy-3,3-dimethylbutyric acid;Q55973849

Chemical Property of (2S)-2,4-dihydroxy-3,3-dimethylbutanoic acid

Chemical Property:

• PSA: 77.76000
• LogP: -0.54960
• XLogP3: -0.3
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 148.07355886
• Heavy Atom Count: 10
• Complexity: 130

Purity/Quality:

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

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C)(CO)C(C(=O)O)O
• Isomeric SMILES: CC(C)(CO)[C@@H](C(=O)O)O

Technology Process of (2S)-2,4-dihydroxy-3,3-dimethylbutanoic acid

There total 3 articles about (2S)-2,4-dihydroxy-3,3-dimethylbutanoic 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:

pantolactone (79-50-5) → L-pantoic acid (1112-32-9) + D-pantoic acid (1112-33-0) + (R)-Pantolacton (599-04-2)

Guidance literature:

With recombinant L-pantolactone hydrolase (A_. tumefaciens Lu₆₈₁); mercury dichloride; 2,2'-piperazine-1,4-diyl-bis-ethanesulfonic acid; at 30 ℃; pH=7.0; Further Variations:; Reagents; Product distribution; Enzyme kinetics; Kinetics; Enzymatic reaction;

DOI:10.1002/1615-4169(200212)344:10<1103::AID-ADSC1103>3.0.CO;2-R

Reference yield:

(+-)-2,4-dihydroxy-3,3-dimethyl-butyric acid (470-29-1) → L-pantoic acid (1112-32-9)

Guidance literature:

With water; Quinine; das Chininsalz entsteht;

Reference yield:

(S)-pantolactone (79-50-5,599-04-2,5405-40-3,52126-90-6) → L-pantoic acid (1112-32-9)

Guidance literature:

With 2-(di(2-hydroxyethyl)amino)ethanesulfonic acid; lipase from Bacillus thermocatenulanatus; In water; at 40 ℃; pH=7.20; Enzyme kinetics;

DOI:10.1016/S0957-4166(01)00072-6

upstream raw materials:

(+-)-2,4-dihydroxy-3,3-dimethyl-butyric acid

(S)-pantolactone

pantolactone

Refernces

• 1、 Liu, Andrew Man Fai,Somers, Neil A.,Kazlauskas, Romas J.,Brush, Terry S.,Zocher, Frank,Enzelberger, Markus M.,Bornscheuer, Uwe T.,Horsman, Geoff P.,Mezzetti, Alessandra,Schmidt-Dannert, Claudia,Schmid, Rolf D.. "Mapping the substrate selectivity of new hydrolases using colorimetric screening: Lipases from Bacillus thermocatenulatus and Ophiostoma piliferum, esterases from Pseudomonas fluorescens and Streptomyces diastatochromogenes". . p. 545 - 556. Retrieved 2007/10/03.