3-Hydroxy-2-methylvaleric acid

Base Information

• Chemical Name: 3-Hydroxy-2-methylvaleric acid
• CAS No.: 28892-73-1
• Molecular Formula: C₆H₁₂O₃
• Molecular Weight: 132.159
• European Community (EC) Number: 849-524-9
• DSSTox Substance ID: DTXSID20951525
• Nikkaji Number: J589.143D
• Mol file: 28892-73-1.mol

Synonyms:3-hydroxy-2-methylvalerate;3-hydroxy-2-methylvaleric acid

Chemical Property of 3-Hydroxy-2-methylvaleric acid

Chemical Property:

• Vapor Pressure: 0.00343mmHg at 25°C
• Refractive Index: 1.457
• Boiling Point: 250.5 °C at 760 mmHg
• Flash Point: 119.5 °C
• PSA: 57.53000
• Density: 1.097 g/cm³
• LogP: 0.47800
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 132.078644241
• Heavy Atom Count: 9
• Complexity: 101

Purity/Quality:

99% ^*data from raw suppliers

3-Hydroxy-2-methylpentanoicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C(C)C(=O)O)O

Technology Process of 3-Hydroxy-2-methylvaleric acid

There total 22 articles about 3-Hydroxy-2-methylvaleric 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: 91.0%

(4SR,5SR)-2,5-dihydroxy-2,4-dimethyl-2-O-trimethylsilylheptan-3-one (119460-80-9,122706-12-1) → (2SR,3RS)-3-hydroxy-2-methylpentanoic acid (28892-73-1,77302-11-5,77405-43-7,81873-63-4,93861-71-3,98524-11-9,98524-12-0,109215-41-0,131897-89-7)

Guidance literature:

With periodic acid; In methanol; water; at 25 ℃; for 12h;

Reference yield: 46.0%

(2R,3R)-3-Acetoxy-2-methyl-pentanoic acid 2,6-di-tert-butyl-4-methoxy-phenyl ester → (2SR,3SR)-2-methyl-3-hydroxypentanoic acid (28892-73-1,77302-11-5,77405-43-7,81873-63-4,93861-71-3,98524-11-9,98524-12-0,109215-41-0,131897-89-7)

Guidance literature:

DOI:10.1016/S0040-4020(01)93284-3

Reference yield: 39.0%

2',6'-bis(1,1-dimethylethyl)-4'-methoxyphenyl (2SR,3SR)-2-methyl-3-hydroxyopentanoate (81818-94-2) → (2SR,3SR)-2-methyl-3-hydroxypentanoic acid (28892-73-1,77302-11-5,77405-43-7,81873-63-4,93861-71-3,98524-11-9,98524-12-0,109215-41-0,131897-89-7)

Guidance literature:

With ammonium cerium(IV) nitrate; mannitol; In acetonitrile; for 0.5h;

DOI:10.1016/S0040-4020(01)93284-3

upstream raw materials:

1,2-epoxy-5-hexene

(R)-2-(but-3-en-1-yl)oxirane

(3R^*,4R^*)-4-hydroxy-3-methylhexene

(4SR,5SR)-2,5-dihydroxy-2,4-dimethyl-2-O-trimethylsilylheptan-3-one

Downstream raw materials:

1-ethylpropyl (2SR,3RS)-3-hydroxy-2-methylpentanoate

pentan-3-one

4-Ethyl-3-methyl-oxetan-2-one

3-methylvaleric acid

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