2,3-Dihydroxy-3-methylbutanoic acid

Base Information

• Chemical Name: 2,3-Dihydroxy-3-methylbutanoic acid
• CAS No.: 1756-18-9
• Molecular Formula: C5H10O4
• Molecular Weight: 134.132
• Hs Code.: 2918290000
• European Community (EC) Number: 821-245-7
• NSC Number: 181496
• DSSTox Substance ID: DTXSID201292206
• Nikkaji Number: J2.316.717D
• Wikidata: Q27098191
• Metabolomics Workbench ID: 78508
• Mol file: 1756-18-9.mol

Synonyms:2,3-dihydroxyisovaleric acid;alpha,beta-dihydroxyisovaleric acid;alpha,beta-dihydroxyisovaleric acid, (+-)-isomer;alpha,beta-dihydroxyisovaleric acid, (R)-isomer;alpha,beta-dihydroxyisovaleric acid, monosodium salt;R-2,3-dihydroxyisovalerate

Chemical Property of 2,3-Dihydroxy-3-methylbutanoic acid

Chemical Property:

• Vapor Pressure: 1.07E-05mmHg at 25°C
• Refractive Index: 1.5
• Boiling Point: 332.2 °C at 760 mmHg
• Flash Point: 168.9 °C
• PSA: 77.76000
• Density: 1.326 g/cm³
• LogP: -0.79720
• Storage Temp.: Hygroscopic, -20°C Freezer, Under inert atmosphere
• Solubility.: Chloroform (Slightly, Heated, Sonicated), DMSO (Slightly)
• XLogP3: -0.9
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 134.05790880
• Heavy Atom Count: 9
• Complexity: 118

Purity/Quality:

99% ^*data from raw suppliers

2,3-dihydroxy-3-methylbutanoicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2,3-Dihydroxy-3-methylbutanoic acid

There total 9 articles about 2,3-Dihydroxy-3-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:

3-Methylbutenoic acid (541-47-9) → (2RS)-2,3-dihydroxy-3-methylbutanoic acid (1756-18-9)

Guidance literature:

With methyltri(butyl)ammonium permanganate; In dichloromethane; at 25 ℃; Thermodynamic data; Rate constant; ΔH(excit.), ΔS(excit.); addition of carboxylic acids, various reagents concentrations;

DOI:10.1021/jo00391a011

Reference yield:

→ (2RS)-2,3-dihydroxy-3-methylbutanoic acid (1756-18-9)

Guidance literature:

DOI:10.1021/ja01633a046

Reference yield:

1,1,3-tribromo-3-methyl-butan-2-one (1578-05-8) → (2RS)-2,3-dihydroxy-3-methylbutanoic acid (1756-18-9)

Guidance literature:

With potassium hydroxide;

upstream raw materials:

3-Methylbutenoic acid

1,1,3-tribromo-3-methyl-butan-2-one

ethyl 3,3-dimethyl-oxirane-2-carboxylate

sulfuric acid

Downstream raw materials:

methyl-(+/-)-2,3-dihydroxy-3-methylbutyrate

D(-)-α,β-dihydroxyisovaleric acid

isobutyraldehyde

α-oxo-β-hydroxyisovaleric acid