Ethyl 1-methyl-2-oxocyclohexanecarboxylate

Base Information

• Chemical Name: Ethyl 1-methyl-2-oxocyclohexanecarboxylate
• CAS No.: 5453-94-1
• Molecular Formula: C₁₀H₁₆O₃
• Molecular Weight: 184.235
• NSC Number: 18913
• DSSTox Substance ID: DTXSID40280844
• Nikkaji Number: J444.921E
• Mol file: 5453-94-1.mol

Synonyms:Ethyl 1-methyl-2-oxocyclohexanecarboxylate;5453-94-1;ethyl 1-methyl-2-oxocyclohexane-1-carboxylate;MFCD00599370;ethyl1-methyl-2-oxocyclohexane-1-carboxylate;Cyclohexanecarboxylic acid, 1-methyl-2-oxo-, ethyl ester;SCHEMBL875700;DTXSID40280844;NSC18913;AC9108;NSC 18913;NSC-18913;AKOS015906570;DY-0001;SY263468;Ethyl 1-methyl-2-oxo-cyclohexanecarboxylate;CS-0217472;Ethyl 1-methyl-2-oxocyclohexanecarboxylate #;EN300-748922;1-methyl-2-cyclohexanonecarboxylic acid ethyl ester;1-Methyl-2-oxocyclohexanecarboxylic acid ethyl ester;racemic ethyl 1-methyl-2-oxo-cyclohexanecarboxylate

Chemical Property of Ethyl 1-methyl-2-oxocyclohexanecarboxylate

Chemical Property:

• Vapor Pressure: 0.0188mmHg at 25°C
• Boiling Point: 252.9°Cat760mmHg
• Flash Point: 104.8°C
• Density: 1.049g/cm³
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 184.109944368
• Heavy Atom Count: 13
• Complexity: 222

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1(CCCCC1=O)C

Technology Process of Ethyl 1-methyl-2-oxocyclohexanecarboxylate

There total 10 articles about Ethyl 1-methyl-2-oxocyclohexanecarboxylate 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: 99.0%

ethyl 2-oxocyclohexane carboxylate (1655-07-8) + methyl iodide (74-88-4) → ethyl 1-methyl-2-oxocyclohexancarboxylate (66088-37-7,5453-94-1)

Guidance literature:

With sodium hydride; In tetrahydrofuran;

DOI:10.1021/jo951206z

Reference yield: 85.0%

ethyl 1-(iodomethyl)-2-oxocyclohexanecarboxylate (2900-11-0) → ethyl 1-methyl-2-oxocyclohexancarboxylate (66088-37-7,5453-94-1)

Guidance literature:

With indium; water; for 4.5h; ultrasound;

DOI:10.1039/a901493d

Reference yield: 80.0%

dimethyl zinc(II) (544-97-8) + ethyl 2-oxocyclohexane carboxylate (1655-07-8) → ethyl 1-methyl-2-oxocyclohexancarboxylate (66088-37-7,5453-94-1)

Guidance literature:

With [hydroxy(tosyloxy)iodo]benzene; magnesium sulfate; In toluene; at -78 ℃; for 18h; Reagent/catalyst; Inert atmosphere; Darkness;

DOI:10.1021/ol503384c

upstream raw materials:

ethyl 2-oxocyclohexane carboxylate

methyl iodide

ethyl 1-bromomethyl-2-oxocyclohexane-1-carboxylate

ethanol

Downstream raw materials:

(2-ethoxycarbonyl-2-methyl-cyclohexylidene)-cyano-acetic acid ethyl ester

3-methyl-2-oxo-cyclohexanecarboxylic acid ethyl ester

3-(6-ethoxycarbonyl-6-methyl-cyclohex-1-enyl)-propionic acid ethyl ester

2-hydroxy-1-methyl-cyclohexanecarboxylic acid isopropyl ester