Methyl 5-methyl-4-oxohexanoate

Base Information

• Chemical Name: Methyl 5-methyl-4-oxohexanoate
• CAS No.: 34553-37-2
• Molecular Formula: C8H14O3
• Molecular Weight: 158.19500
• European Community (EC) Number: 877-669-8
• Nikkaji Number: J140.911E
• Mol file: 34553-37-2.mol

Synonyms:methyl 5-methyl-4-oxohexanoate;34553-37-2;4-Oxo-5-methylhexanoic acid methyl ester;methyl5-methyl-4-oxohexanoate;SCHEMBL8279035;AKOS010909921;CS-0242289;EN300-246954;Hexanoic acid, 5-methyl-4-oxo-, methyl ester;Z838955646

Chemical Property of Methyl 5-methyl-4-oxohexanoate

Chemical Property:

• PSA: 43.37000
• LogP: 1.16470
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 158.094294304
• Heavy Atom Count: 11
• Complexity: 149

Purity/Quality:

99% ^*data from raw suppliers

Methyl5-methyl-4-oxohexanoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C(=O)CCC(=O)OC

Technology Process of Methyl 5-methyl-4-oxohexanoate

There total 18 articles about Methyl 5-methyl-4-oxohexanoate 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: 89.0%

2-Isopropyl-2-trimethylsilanyloxy-cyclopropanecarboxylic acid methyl ester (90288-80-5) → methyl 5-methyl-4-oxohexanoate (34553-37-2)

Guidance literature:

With triethylamine tris(hydrogen fluoride); triethylamine; In dichloromethane; at 20 ℃; for 1h;

DOI:10.15227/orgsyn.071.0189

Reference yield: 76.0%

2-(trimethylsilyloxy)-3-methyl-1-butene (17510-45-1) + bromoacetic acid methyl ester (96-32-2) → methyl 5-methyl-4-oxohexanoate (34553-37-2)

Guidance literature:

With molecular sieve; trimethyl(benzyl)ammonium fluoride; In tetrahydrofuran; 1.) room temperature, overnight, 2.) 0 deg C, 5 min, 3.) room temperature, 17 h;

DOI:10.1021/ja00368a018

Reference yield: 61.0%

methyl 5-methyl-4-(2-quinolinylmethoxy)hexanoate (142820-29-9) → methyl 5-methyl-4-oxohexanoate (34553-37-2)

Guidance literature:

In acetonitrile; for 4h; Irradiation;

DOI:10.1016/S0040-4020(01)81226-6

upstream raw materials:

diazomethane

5-Methyl-4-oxohexanoic acid

propanoic acid methyl ester

Methyl isobutyrate