2-Acetyl-5-methylhexanoic acid ethyl ester

Base Information

• Chemical Name: 2-Acetyl-5-methylhexanoic acid ethyl ester
• CAS No.: 1522-30-1
• Molecular Formula: C11H20 O3
• Molecular Weight: 200.278
• Hs Code.: 2918300090
• Mol file: 1522-30-1.mol

Synonyms:Ethyl2-acetyl-5-methylhexanoate; NSC 174099

Chemical Property of 2-Acetyl-5-methylhexanoic acid ethyl ester

Chemical Property:

• Vapor Pressure: 0.051mmHg at 25°C
• Boiling Point: 235.1°Cat760mmHg
• PKA: 11.81±0.59(Predicted)
• Flash Point: 92.5°C
• PSA: 43.37000
• Density: 0.947g/cm³
• LogP: 2.19090

Purity/Quality:

Ethyl 2-acetyl-5-methylhexanoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 2-Acetyl-5-methylhexanoic acid ethyl ester

There total 4 articles about 2-Acetyl-5-methylhexanoic acid ethyl ester 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: 67.0%

ethyl acetoacetate (141-97-9) + i-pentyl bromide (107-82-4) → ethyl 2-acetyl-5-methylhexanoate (1522-30-1)

Guidance literature:

With sodium ethanolate; In ethanol; for 18.25h; Heating / reflux;

Reference yield:

ethyl acetoacetate (141-97-9) + i-pentyl bromide (107-82-4) → ethyl 2-acetyl-5-methylhexanoate (1522-30-1) + ethyl 3-(isopentyloxy)but-2-enoate

Guidance literature:

With potassium carbonate; 3-butyl-1-methyl-1H-imidazol-3-ium hexafluorophosphate; at 115 - 120 ℃; for 12h;

DOI:10.1070/mc2002v012n02abeh001563

Reference yield:

isopentyl iodide (541-28-6) + sodium ethyl acetylacetate enolate (1007476-32-5) → ethyl 2-acetyl-5-methylhexanoate (1522-30-1)

Guidance literature:

With ethanol;

upstream raw materials:

isopentyl iodide

sodium ethyl acetylacetate enolate

ethyl acetoacetate

i-pentyl bromide

Downstream raw materials:

5-isopentyl-6-methyl-2-thioxo-2,3-dihydro-1H-pyrimidin-4-one

6-methylheptan-2-one

cis-ethyl 3,7-dimethyl-2-octenoate

trans-ethyl 3,7-dimethyl-2-octenoate