3-Ketopelargonic acid

Base Information

• Chemical Name: 3-Ketopelargonic acid
• CAS No.: 40435-57-2
• Molecular Formula: C9H16O3
• Molecular Weight: 172.224
• Mol file: 40435-57-2.mol

Synonyms:3-Oxo-nonansaeure;3-oxo-nonanoic acid;

Chemical Property of 3-Ketopelargonic acid

Chemical Property:

• Boiling Point: 291.1±23.0 °C(Predicted)
• PKA: 3.59±0.32(Predicted)
• PSA: 54.37000
• Density: 1.020±0.06 g/cm3(Predicted)
• LogP: 2.00060

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 3-Ketopelargonic acid

There total 6 articles about 3-Ketopelargonic 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: 93.0%

bis(trimethylsilyl) malonate (18457-04-0) + Heptanoic acid chloride (2528-61-2) → 3-oxononanoic acid (40435-57-2)

Guidance literature:

bis(trimethylsilyl) malonate; With n-butyllithium; In diethyl ether; hexane; at -78 - 0 ℃;

Heptanoic acid chloride; at 0 ℃; for 0.166667h;

DOI:10.1081/SCC-100000576

Reference yield:

3-oxononanoic acid methyl ester (51756-07-1) → 3-oxononanoic acid (40435-57-2)

Guidance literature:

With hydrogenchloride; at 20 ℃;

Reference yield:

carbon dioxide (124-38-9,18923-20-1) → 3-oxononanoic acid (40435-57-2)

Guidance literature:

With diethyl ether;

DOI:10.1021/ja01238a045

upstream raw materials:

non-2-ynoic acid

3-oxononanoic acid methyl ester

n-pentyl heptanoate

acetic acid

Downstream raw materials:

methylammonium carbonate

hexyl-methyl-ketone

Refernces