Butanoic acid, 3-methyl-4-oxo-, methyl ester

Base Information

• Chemical Name: Butanoic acid, 3-methyl-4-oxo-, methyl ester
• CAS No.: 65038-34-8
• Molecular Formula: C6H10O3
• Molecular Weight: 130.144
• Mol file: 65038-34-8.mol

Synonyms:γ-Oxo-isovaleriansaeure-methylester;methyl 3-methyl-4-oxobutanoate;3-formyl-butyric acid methyl ester;γ-oxo-isovaleric acid methyl ester;β-Formylbuttersaeuremethylester;methyl 3-methyl-4-oxo-butanoate;

Chemical Property of Butanoic acid, 3-methyl-4-oxo-, methyl ester

Chemical Property:

• PSA: 43.37000
• LogP: 0.38450

Purity/Quality:

methyl3-methyl-4-oxobutanoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of Butanoic acid, 3-methyl-4-oxo-, methyl ester

There total 7 articles about Butanoic acid, 3-methyl-4-oxo-, methyl 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: 54.0%

carbon monoxide (201230-82-2) + methacrylic acid methyl ester (80-62-6,114512-63-9,143476-91-9,25188-98-1,9011-14-7) → 3-formyl-butyric acid methyl ester (65038-34-8) + methyl 2,2-dimethyl-3-oxopropanoate (13865-20-8)

Guidance literature:

With hydrogen; Rh(1+)(1,5-cyclooctadiene)(η6-C6H5B(1-)Ph3); 1,4-di(diphenylphosphino)-butane; In dichloromethane; at 100 ℃; for 18h; under 31028.9 Torr; Yields of byproduct given;

DOI:10.1021/jo00108a007

Reference yield:

crotonic acid methyl ester (623-43-8) → butanoic acid methyl ester (623-42-7) + 2-formyl-butyric acid methyl ester (63857-18-1) + 3-formyl-butyric acid methyl ester (65038-34-8) + dimethyl ethylmalonate (26717-67-9)

Guidance literature:

RhH₂(O₂COH)(P(i-Pr)3)2; In tetrahydrofuran; at 120 ℃; for 20h; Yield given. Further byproducts given. Yields of byproduct given. Title compound not separated from byproducts;

DOI:10.1016/S0040-4039(00)85762-7

Reference yield:

carbon monoxide (201230-82-2) + methacrylic acid methyl ester (80-62-6,114512-63-9,143476-91-9,25188-98-1,9011-14-7) → Methyl isobutyrate (547-63-7,133320-07-7,67505-84-4) + 3-formyl-butyric acid methyl ester (65038-34-8) + methyl 2,2-dimethyl-3-oxopropanoate (13865-20-8)

Guidance literature:

With hydrogen; Rh(1+)(1,5-cyclooctadiene)(η6-C6H5B(1-)Ph3); In dichloromethane; at 100 ℃; for 18h; under 31028.9 Torr; Product distribution; various temp., time and catalysts;

DOI:10.1021/jo00108a007

upstream raw materials:

methyl crotonate

carbon monoxide

methacrylic acid methyl ester

crotonic acid methyl ester

Downstream raw materials:

trans-5-n-butyl-4-methyl-4,5-dihydro-2(3H)-furanone

cis-5-n-butyl-4-methyl-4,5-dihydro-2(3H)-furanone

trans-4,5-Dihydro-4-methyl-5-(2-methyl-3-oxo-3-phenyl-2-propyl)-2(3H)-furanone

cis-4,5-Dihydro-4-methyl-5-(2-methyl-3-oxo-3-phenyl-2-propyl)-2(3H)-furanone