3-Methyl-5-oxopentyl acetate

Base Information

• Chemical Name: 3-Methyl-5-oxopentyl acetate
• CAS No.: 101153-84-8
• Molecular Formula: C₈H₁₄O₃
• Molecular Weight: 158.197
• European Community (EC) Number: 927-505-7
• DSSTox Substance ID: DTXSID001305885
• Mol file: 101153-84-8.mol

Synonyms:3-methyl-5-oxopentyl acetate;SCHEMBL1614306;5-(Acetyloxy)-3-methylpentanal;PEIGDAJJNZNVBO-UHFFFAOYSA-N;DTXSID001305885;101153-84-8

Chemical Property of 3-Methyl-5-oxopentyl acetate

Chemical Property:

• Vapor Pressure: 0.124mmHg at 25°C
• Boiling Point: 211.85℃ at 101.3kPa
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 158.094294304
• Heavy Atom Count: 11
• Complexity: 131

Purity/Quality:

99.9% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(CCOC(=O)C)CC=O

Technology Process of 3-Methyl-5-oxopentyl acetate

There total 5 articles about 3-Methyl-5-oxopentyl acetate 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-methylbut-2-enyl acetate (1191-16-8) + carbon monoxide (201230-82-2) → 3-methyl-5-oxopentyl acetate (101153-84-8)

Guidance literature:

With dicarbonyl(acetylacotonato)rhodium(I); C₇₂H₁₀₀O₆P₂; hydrogen; at 125 ℃; for 24h; under 75007.5 Torr; Reagent/catalyst; Flow reactor;

Reference yield:

2-methyl-1-buten-4-ol (763-32-6) → 3-methyl-5-oxopentyl acetate (101153-84-8)

Guidance literature:

Multi-step reaction with 2 steps

1.1: A-36 ion exchange resin / 100 °C / 1200.12 Torr / Autoclave; Large scale

1.2: hollow molecular sieve nanotubes supported silicotungstic acid catalyst / 105 - 155 °C / 825.08 Torr / Large scale

2.1: dicarbonyl(acetylacotonato)rhodium(I); C₇₂H₁₀₀O₆P₂; hydrogen / 24 h / 125 °C / 75007.5 Torr / Flow reactor

With dicarbonyl(acetylacotonato)rhodium(I); C₇₂H₁₀₀O₆P₂; hydrogen;

Reference yield:

3,7-Dimethyl-6-methyleneoctanol acetate (26358-50-9) → 3-methyl-5-oxopentyl acetate (101153-84-8)

Guidance literature:

Multistep reaction; (i) I₂, (ii) O₃;

DOI:10.1021/jo00837a602

upstream raw materials:

3,7-Dimethyl-6-methyleneoctanol acetate

citronellyl-acetate

6-Oxo-6,7-dihydrocitronellol acetate

2-methyl-1-buten-4-ol

Downstream raw materials:

3-methylpentane-1,5-diol

Refernces

• 1、 -. "Method for combined production of 3-methyl-1,5-pentanediol and C1-C6 alcohols". . . Retrieved 2018/07/30.