Cyclohexanecarboxylic acid, 1-methyl-4-oxo-, ethyl ester

Base Information

• Chemical Name: Cyclohexanecarboxylic acid, 1-methyl-4-oxo-, ethyl ester
• CAS No.: 147905-77-9
• Molecular Formula: C10H16O3
• Molecular Weight: 184.235
• Hs Code.: 2918300090
• Mol file: 147905-77-9.mol

Synonyms:ethyl 4-keto-1-methylcyclohexanoate;ethyl 1-methyl-4-oxocyclohexanecarboxylate;1-Methyl-4-oxo-cyclohexancarbonsaeure-aethylester;ethyl 1-methyl-4-oxo-1-cyclohexanecarboxylate;1-methyl-4-oxo-cyclohexanecarboxylic acid ethyl ester;

Chemical Property of Cyclohexanecarboxylic acid, 1-methyl-4-oxo-, ethyl ester

Chemical Property:

• Boiling Point: 252.9±33.0 °C(Predicted)
• PSA: 43.37000
• Density: 1.049±0.06 g/cm3(Predicted)
• LogP: 1.69890
• Storage Temp.: 2-8°C

Purity/Quality:

99% ^*data from raw suppliers

Ethyl1-methyl-4-oxocyclohexanecarboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Uses: Ethyl 1-methyl-4-oxocyclohexanecarboxylate is a useful research chemical.

Technology Process of Cyclohexanecarboxylic acid, 1-methyl-4-oxo-, ethyl ester

There total 8 articles about Cyclohexanecarboxylic acid, 1-methyl-4-oxo-, 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: 91.0%

ethyl 8-methyl-1,4-dioxa-spiro[4.5]decane-8-carboxylate (24730-88-9) → ethyl 1-methyl-4-oxo-1-cyclohexanecarboxylate (147905-77-9)

Guidance literature:

With sulfuric acid; In acetone; for 24h; Ambient temperature;

DOI:10.1071/CH9941833

Reference yield: 85.0%

C20H32N2O4 → ethyl 1-methyl-4-oxo-1-cyclohexanecarboxylate (147905-77-9)

Guidance literature:

With HOF* CH₃CN; In dichloromethane; at 0 ℃; for 0.0166667h;

DOI:10.1016/j.tetlet.2005.11.090

Reference yield: 73.0%

ethyl 4,4-diethoxycyclohexane-1carboxylate (860469-35-8) + dimethyl sulfate (77-78-1) → ethyl 1-methyl-4-oxo-1-cyclohexanecarboxylate (147905-77-9)

Guidance literature:

ethyl 4,4-diethoxycyclohexane-1carboxylate; With n-butyllithium; diisopropylamine; In diethyl ether; hexane; at 0 - 20 ℃; Inert atmosphere;

dimethyl sulfate; With phenethylamine; In diethyl ether; hexane; for 14h; Inert atmosphere;

DOI:10.1002/ejoc.200700975

upstream raw materials:

ethyl 1-(bromomethyl)-4-oxocyclohexanecarboxylate

ethyl 8-methyl-1,4-dioxa-spiro[4.5]decane-8-carboxylate

ethyl 1,4-dioxaspiro[4.5]decane-8-carboxylate

ethyl 4-oxocyclohexane-1-carboxylate

Downstream raw materials:

1,4-dimethyl-2-oxa-3-oxobicyclo<2.2.2>octane

C₁₁H₂₀O₃

C₁₁H₂₀O₃

ethyl 4-(7-(bis((2-(trimethylsilyl)ethoxy)methyl)amino)-6-cyano-3-(6-phenylpyridin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl)-1-methylcyclohexanecarboxylate

Refernces

• 1、 -. "TETRAHYDRO-IMIDAZO QUINOLINE COMPOSITIONS AS CBP/P300 INHIBITORS". Paragraph 0087. . Retrieved 2019/04/11.
• 2、 -. "As a substituted bicyclic pyrazole compound and use ROR γ T inhibitor". Paragraph 0182; 0184. . Retrieved 2019/01/10.