Ethyl 4-methylcyclohexane-1-carboxylate

Base Information

• Chemical Name: Ethyl 4-methylcyclohexane-1-carboxylate
• CAS No.: 7133-31-5
• Molecular Formula: C10H18O2
• Molecular Weight: 170.252
• Hs Code.: 2916209090
• DSSTox Substance ID: DTXSID30504304
• Nikkaji Number: J1.259.298A,J1.259.299J
• Mol file: 7133-31-5.mol

Synonyms:7133-31-5;Ethyl 4-methylcyclohexanecarboxylate;Ethyl 4-methylcyclohexane-1-carboxylate;Cyclohexanecarboxylic acid, 4-methyl-, ethyl ester;ACIDBLUE15;SCHEMBL1286694;SCHEMBL8058619;SCHEMBL12332811;SCHEMBL15200245;DTXSID30504304;ethyl 4-methylcyclohexane carboxylate;AKOS006315681;Cyclohexanecarboxylic acid,4-methyl-,ethyl ester

Chemical Property of Ethyl 4-methylcyclohexane-1-carboxylate

Chemical Property:

• Melting Point: 13 °C
• Boiling Point: 209.8±8.0 °C(Predicted)
• PSA: 26.30000
• Density: 0.942±0.06 g/cm3(Predicted)
• LogP: 2.37580
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 170.130679813
• Heavy Atom Count: 12
• Complexity: 146

Purity/Quality:

99% ^*data from raw suppliers

Ethyl4-methylcyclohexanecarboxylate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCOC(=O)C1CCC(CC1)C

Technology Process of Ethyl 4-methylcyclohexane-1-carboxylate

There total 6 articles about Ethyl 4-methylcyclohexane-1-carboxylate 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: 88.0%

ethanol (64-17-5) + 4-methylcyclohexanecarboxylic acid (4331-54-8) → 4-methylcyclohexanecarboxylic acid ethyl ester (7133-31-5)

Guidance literature:

With sulfuric acid; In benzene; for 20h; Heating;

DOI:10.1021/jo01309a007

Reference yield:

diethyl 1,4-cyclohexanedione-2,5-dicarboxylate (787-07-5) → 4-methylcyclohexanecarboxylic acid ethyl ester (7133-31-5) + cyclohexane-1,4-dicarboxylic acid diethyl ester (72903-27-6) + 1,4 dimethylcyclohexane (589-90-2)

Guidance literature:

With copper nanoparticles on activated carbon; hydrogen; In isopropyl alcohol; at 150 ℃; for 6h; under 37503.8 Torr; Autoclave;

Reference yield:

diethyl 1,4-cyclohexanedione-2,5-dicarboxylate (787-07-5) → 4-methylcyclohexanecarboxylic acid ethyl ester (7133-31-5) + cyclohexane-1,4-dicarboxylic acid diethyl ester (72903-27-6)

Guidance literature:

With hydrogen; In isopropyl alcohol; at 120 ℃; for 10h; under 75007.5 Torr; Reagent/catalyst; Autoclave;

upstream raw materials:

ethanol

4-methylcyclohexanecarboxylic acid

p-Toluic acid

diethyl 1,4-cyclohexanedione-2,5-dicarboxylate

Downstream raw materials:

ethyl 4-(p-tolylsulfonyloxy)cyclohexanecarboxylate

ethyl 1-(4-fluorophenyl)-4-methylcyclohexanecarboxylate

ethyl 4-methyl-1-(4-(trifluoromethyl)phenyl)cyclohexanecarboxylate

ethyl 4-methyl-1-o-tolylcyclohexanecarboxylate