4-Hydroxy-4-methyl-2-oxoglutaric acid

Base Information

• Chemical Name: 4-Hydroxy-4-methyl-2-oxoglutaric acid
• CAS No.: 19071-44-4
• Molecular Formula: C6H8O6
• Molecular Weight: 176.126
• DSSTox Substance ID: DTXSID501269327
• Nikkaji Number: J2.369.061F
• Wikidata: Q27102628
• Metabolomics Workbench ID: 51049
• Mol file: 19071-44-4.mol

Synonyms:Parapyruvate;2-hydroxy-2-methyl-4-oxopentanedioic acid;4-hydroxy-4-methyl-2-oxoglutaric acid;SCHEMBL126086;CHEBI:17801;DTXSID501269327;2-oxo-4-hydroxy-4-methylglutaric acid;C06033;Q27102628;130610-51-4;19071-44-4

Chemical Property of 4-Hydroxy-4-methyl-2-oxoglutaric acid

Chemical Property:

• Vapor Pressure: 2.75E-08mmHg at 25°C
• Boiling Point: 406.1°Cat760mmHg
• Flash Point: 213.6°C
• Density: 1.579g/cm³
• XLogP3: -1.3
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 176.03208797
• Heavy Atom Count: 12
• Complexity: 232

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(CC(=O)C(=O)O)(C(=O)O)O

Technology Process of 4-Hydroxy-4-methyl-2-oxoglutaric acid

There total 2 articles about 4-Hydroxy-4-methyl-2-oxoglutaric 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:

2-oxo-propionic acid (127-17-3) → 4-hydroxy-4-methyl-2-ketoglutaric acid (19071-44-4,40525-99-3)

Guidance literature:

Reference yield:

4-hydroxy-2-keto-4-methylglutaric lactone (512-76-5) → 4-hydroxy-4-methyl-2-ketoglutaric acid (19071-44-4,40525-99-3)

Guidance literature:

With water; Bei Raumtemperatur und pH 7 (nicht isoliert);

Reference yield: 47.0%

4-hydroxy-4-methyl-2-ketoglutaric acid (19071-44-4,40525-99-3) → (2S,4S)-4-hydroxy-4-methylglutamic acid (15904-98-0)

Guidance literature:

With cysteinesulfinic acid; Escherichia coli aspartate aminotransferase; In water; at 20 ℃; for 2h; pH=7.6; Enzymatic reaction;

DOI:10.1021/jo070805q

upstream raw materials:

4-hydroxy-2-keto-4-methylglutaric lactone

2-oxo-propionic acid

Downstream raw materials:

4-hydroxy-2-keto-4-methylglutaric lactone

water

(2S,4S)-4-hydroxy-4-methylglutamic acid

(2S,4R)-2-amino-4-hydroxy-4-methylpentanedioic acid