Ethyl 2-(4-methylcyclohexyl)acetate

Base Information

• Chemical Name: Ethyl 2-(4-methylcyclohexyl)acetate
• CAS No.: 33953-94-5
• Molecular Formula: C₁₁H₂₀O₂
• Molecular Weight: 184.279
• European Community (EC) Number: 829-032-0
• Nikkaji Number: J1.951.491I
• Mol file: 33953-94-5.mol

Synonyms:Ethyl 2-(4-methylcyclohexyl)acetate;33953-94-5;SCHEMBL3036111;SCHEMBL15827356;4-Methylcyclohexane-1-acetic acid ethyl ester;EN300-1719612

Chemical Property of Ethyl 2-(4-methylcyclohexyl)acetate

Chemical Property:

• Vapor Pressure: 0.078mmHg at 25°C
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 184.146329876
• Heavy Atom Count: 13
• Complexity: 158

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCOC(=O)CC1CCC(CC1)C

Technology Process of Ethyl 2-(4-methylcyclohexyl)acetate

There total 5 articles about Ethyl 2-(4-methylcyclohexyl)acetate 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: 97.0%

ethyl 4-methylcyclohexylideneacetate (127180-76-1,42778-89-2,191113-70-9) → ethyl (4-methylcyclohexyl)acetate (33953-94-5)

Guidance literature:

With hydrogen; palladium on activated charcoal; In ethanol; under 760 Torr;

DOI:10.1248/cpb.40.2391

Reference yield: 84.0%

(E)-8-Iodo-6-methyl-oct-2-enoic acid ethyl ester → ethyl (4-methylcyclohexyl)acetate (33953-94-5)

Guidance literature:

With nickel(II) iodide; samarium; diiodomethane; In tetrahydrofuran; tert-butyl alcohol; 1) -78 deg C, 30 min; 2) -78 deg C --> rt;

DOI:10.1021/jo971047e

Reference yield:

1-methylcyclohexan-4-one (589-92-4) → ethyl (4-methylcyclohexyl)acetate (33953-94-5)

Guidance literature:

Multi-step reaction with 2 steps

1: 78 percent / NaH / benzene

2: 97 percent / H₂ / 5percent Pd/C / ethanol / 760 Torr

With hydrogen; sodium hydride; palladium on activated charcoal; In ethanol; benzene;

DOI:10.1248/cpb.40.2391

upstream raw materials:

ethyl 4-methylcyclohexylideneacetate

6-methyl-hexahydro-benzofuran-2-one

1-methylcyclohexan-4-one

Downstream raw materials:

7-Chloro-2-[2-(4-methyl-cyclohexyl)-ethyl]-6-nitro-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

7-Chloro-2-[2-(4-methyl-cyclohexyl)-ethyl]-6-nitro-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

7-Hydroxy-2-[2-(4-methyl-cyclohexyl)-ethyl]-6-nitro-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

7-Hydroxy-2-[2-(4-methyl-cyclohexyl)-ethyl]-6-nitro-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one