2-Hydroxy-2,3-dimethylbutanoic acid

Base Information

• Chemical Name: 2-Hydroxy-2,3-dimethylbutanoic acid
• CAS No.: 3639-20-1
• Molecular Formula: C6H12O3
• Molecular Weight: 132.159
• Hs Code.: 2918199090
• European Community (EC) Number: 836-312-6
• DSSTox Substance ID: DTXSID70506029
• Nikkaji Number: J1.901.960H
• Mol file: 3639-20-1.mol

Synonyms:2-Hydroxy-2,3-dimethylbutanoic acid;3639-20-1;SCHEMBL503261;DTXSID70506029;2-Hydroxy-2,3-dimethylbutanoicacid;AKOS011777932;SB85181;CS-0119990;FT-0686257;EN300-140647;F95416;Z991569008

Chemical Property of 2-Hydroxy-2,3-dimethylbutanoic acid

Chemical Property:

• Melting Point: 60-65℃
• Boiling Point: 242℃
• Flash Point: 115℃
• PSA: 57.53000
• Density: 1.100
• LogP: 0.47800
• Storage Temp.: 2-8°C
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 132.078644241
• Heavy Atom Count: 9
• Complexity: 120

Purity/Quality:

98%min ^*data from raw suppliers

2-Hydroxy-2,3-dimethylbutanoic acid 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Hydroxy-2,3-dimethylbutanoic acid

There total 1 articles about 2-Hydroxy-2,3-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:

tetrachloromethane (56-23-5) + 3,3-dimethyl-butan-2-one (75-97-8) + bromine (7726-95-6) → Bromoform (75-25-2) + carbon tetrabromide (558-13-4) + (+/-)-2-hydroxy-2,3-dimethylbutanoic acid (3639-20-1) + Trimethylacetic acid (75-98-9)

Guidance literature:

Produkt₅:Tribrompinakolin;

DOI:10.1002/ett.4460120309

Reference yield: 62.0%

1-((1S,2S,4R)-bicyclo[2.2.1]heptan-2-yl)thiourea (870708-65-9) + (+/-)-2-hydroxy-2,3-dimethylbutanoic acid (3639-20-1) → C14H22N2OS

Guidance literature:

(+/-)-2-hydroxy-2,3-dimethylbutanoic acid; With thionyl chloride; N,N-dimethyl-formamide; at 23 ℃; for 2h; Inert atmosphere;

1-((1S,2S,4R)-bicyclo[2.2.1]heptan-2-yl)thiourea; With N-ethyl-N,N-diisopropylamine; In N,N-dimethyl-formamide; at 23 ℃; for 12h; Inert atmosphere;

DOI:10.1021/jo900287b

Reference yield:

(+/-)-2-hydroxy-2,3-dimethylbutanoic acid (3639-20-1) → pivalaldehyde (630-19-3)

Guidance literature:

at 240 ℃;

upstream raw materials:

tetrachloromethane

3,3-dimethyl-butan-2-one

bromine

Downstream raw materials:

pivalaldehyde

(+/-)-methyl (2-hydroxy-3,3-dimethyl)butyrate

2,3-Dimethyl-1,2-Butanediol

2,3-dimethylbutanal