ethyl 3-hydroxy-3-methylbutyrate

Base Information

• Chemical Name: ethyl 3-hydroxy-3-methylbutyrate
• CAS No.: 18267-36-2
• Molecular Formula: C7H14 O3
• Molecular Weight: 146.186
• Hs Code.: 2918199090
• European Community (EC) Number: 242-147-5
• DSSTox Substance ID: DTXSID70171317
• Nikkaji Number: J266.086E
• Wikidata: Q83041392
• Mol file: 18267-36-2.mol

Synonyms:Butyricacid, 3-hydroxy-3-methyl-, ethyl ester (6CI,7CI,8CI); Ethyl3-hydroxy-3-methylbutanoate; Ethyl 3-hydroxy-3-methylbutyrate; Ethyl b-hydroxyisovalerate

Chemical Property of ethyl 3-hydroxy-3-methylbutyrate

Chemical Property:

• Vapor Pressure: 0.0316mmHg at 25°C
• Melting Point: 141-142.5 °C
• Boiling Point: 215.7°Cat760mmHg
• PKA: 14.52±0.29(Predicted)
• Flash Point: 83.8°C
• PSA: 46.53000
• Density: 1.007g/cm³
• LogP: 0.71050
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 146.094294304
• Heavy Atom Count: 10
• Complexity: 118

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)CC(C)(C)O

Technology Process of ethyl 3-hydroxy-3-methylbutyrate

There total 15 articles about ethyl 3-hydroxy-3-methylbutyrate 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: 100.0%

ethyl acetate (141-78-6) + acetone (67-64-1) → ethyl 3-hydroxy-3-methylbutanoate (18267-36-2)

Guidance literature:

ethyl acetate; With lithium hexamethyldisilazane; In tetrahydrofuran; at -78 ℃; for 1h;

acetone; In tetrahydrofuran; at -78 ℃; for 0.5h;

Reference yield: 81.0%

ethyl bromoacetate (105-36-2) + acetone (67-64-1) → ethyl 3-hydroxy-3-methylbutanoate (18267-36-2)

Guidance literature:

With silver; zinc; In tetrahydrofuran; diethyl ether; Heating;

Reference yield: 80.0%

ethanol (64-17-5) + 3-Hydroxy-3-methylbutyric acid (625-08-1) → ethyl 3-hydroxy-3-methylbutanoate (18267-36-2)

Guidance literature:

With toluene-4-sulfonic acid; In cyclohexane; at 85 ℃; for 5h; Reagent/catalyst; Solvent; Molecular sieve;

DOI:10.1007/s11746-013-2220-5

upstream raw materials:

4,4-dimethyloxetan-2-one

ethanol

4-ethoxy-2-methylbut-3-yn-2-ol

acetone; sodium acetone

Downstream raw materials:

3-benzoylamino-3-methylbutanoic acid

ethyl acetate

acetone

3-fluoro-3-methylbutan-1-ol