3-Hydroxy-2,2-dimethylbutanoic acid

Base Information

• Chemical Name: 3-Hydroxy-2,2-dimethylbutanoic acid
• CAS No.: 29269-83-8
• Molecular Formula: C6H12 O3
• Molecular Weight: 132.159
• DSSTox Substance ID: DTXSID40951860
• Nikkaji Number: J418.947G
• Mol file: 29269-83-8.mol

Synonyms:2,2-dimethyl-3-hydroxybutanoic acid;2,2-dimethyl-3-hydroxybutyric acid;DMHB

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

Chemical Property:

• Vapor Pressure: 0.00616mmHg at 25°C
• Boiling Point: 241.5°Cat760mmHg
• Flash Point: 114.1°C
• PSA: 57.53000
• Density: 1.1g/cm³
• LogP: 0.47800
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 132.078644241
• Heavy Atom Count: 9
• Complexity: 118

Purity/Quality:

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 3-Hydroxy-2,2-dimethylbutanoic acid

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

3-hydroxy-2,2-dimethyl-butyraldehyde (89534-28-1) → 3-methyl-butan-2-one (563-80-4) + 3-hydroxy-2,2-dimethyl-butyric acid (29269-83-8)

Guidance literature:

DOI:10.1007/BF01517397

Reference yield:

3-hydroxy-2,2-dimethyl-butyric acid (29269-83-8) + (1S,1'S)-1,1'-(5,5'-([1,1'-biphenyl]-4,4,-diyl)bis(1H-imidazole-5,2-diyl))bis(2,2-dimethylpropan-1-amine) hidrochloride + ammonium acetate (631-61-8,92206-38-7) → C40H56N6O4 + C40H56N6O4*C2H4O2

Guidance literature:

3-hydroxy-2,2-dimethyl-butyric acid; (1S,1'S)-1,1'-(5,5'-([1,1'-biphenyl]-4,4^,-diyl)bis(1H-imidazole-5,2-diyl))bis(2,2-dimethylpropan-1-amine) hidrochloride; With N-ethyl-N,N-diisopropylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate; In N,N-dimethyl-formamide; at 0 - 20 ℃; for 6h;

ammonium acetate; In water; acetonitrile;

Reference yield:

3-hydroxy-2,2-dimethyl-butyric acid (29269-83-8) → 2,2-dimethylbut-3-enoyl chloride (57690-96-7)

Guidance literature:

Multi-step reaction with 4 steps

1: hydrogen chloride

2: phosphorus pentoxide; benzene

3: anschliessender Hydrolyse

4: phosphorus trichloride

With hydrogenchloride; phosphorus pentaoxide; phosphorus trichloride; benzene;

upstream raw materials:

3-hydroxy-2,2-dimethyl-butyraldehyde

Downstream raw materials:

ethyl 3-hydroxy-2,2-dimethylbutanoate

acetaldehyde

2,2-dimethyl-but-3-enoic acid amide

2,2-dimethylbut-3-enoyl chloride