2-Hydroxyethyl 3-methylbutanoate

Base Information

• Chemical Name: 2-Hydroxyethyl 3-methylbutanoate
• CAS No.: 33498-44-1
• Molecular Formula: C7H14O3
• Molecular Weight: 146.186
• European Community (EC) Number: 889-062-5
• DSSTox Substance ID: DTXSID40545607
• Nikkaji Number: J2.533.706I
• Wikidata: Q82423160
• Mol file: 33498-44-1.mol

Synonyms:2-Hydroxyethyl 3-methylbutanoate;33498-44-1;SCHEMBL2529389;DTXSID40545607;EN300-7091578

Chemical Property of 2-Hydroxyethyl 3-methylbutanoate

Chemical Property:

• XLogP3: 0.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 146.094294304
• Heavy Atom Count: 10
• Complexity: 99

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C)CC(=O)OCCO

Technology Process of 2-Hydroxyethyl 3-methylbutanoate

There total 1 articles about 2-Hydroxyethyl 3-methylbutanoate 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:

carbon monoxide (201230-82-2) + glycerol (56-81-5,25618-55-7,64333-26-2,8013-25-0) + isobutene (115-11-7,15220-85-6) → isovaleric acid monoglycol ester (33498-44-1) + isovaleric acid diglycol ester + glycerol tri(3-methylbutanoate) (620-63-3)

Guidance literature:

carbon monoxide; glycerol; With palladium(II) acetylacetonate; toluene-4-sulfonic acid; triphenylphosphine; at 100 ℃; for 3h; under 15001.5 Torr; Autoclave; neat (no solvent);

isobutene; at 100 ℃; under 15001.5 Torr; regioselective reaction; Autoclave; neat (no solvent);

DOI:10.1134/S0965544112030127

upstream raw materials:

carbon monoxide

glycerol

isobutene