Methyl 5-cyclohexylpentanoate

Base Information

• Chemical Name: Methyl 5-cyclohexylpentanoate
• CAS No.: 16076-64-5
• Molecular Formula: C₁₂H₂₂O₂
• Molecular Weight: 198.305
• DSSTox Substance ID: DTXSID30540020
• Wikidata: Q82415879
• Mol file: 16076-64-5.mol

Synonyms:METHYL 5-CYCLOHEXYLPENTANOATE;16076-64-5;DTXSID30540020

Chemical Property of Methyl 5-cyclohexylpentanoate

Chemical Property:

• XLogP3: 4.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 198.161979940
• Heavy Atom Count: 14
• Complexity: 160

Purity/Quality:

99.90% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)CCCCC1CCCCC1

Technology Process of Methyl 5-cyclohexylpentanoate

There total 5 articles about Methyl 5-cyclohexylpentanoate 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: 32.0%

Methyl 4-pentenoate (818-57-5) + cyclohexane (110-82-7,25012-93-5) → cyclohexyl-5 valerate de methyle (16076-64-5)

Guidance literature:

With di-tert-butyl peroxide; at 120 ℃;

DOI:10.1016/S0040-4020(01)91505-4

Reference yield:

pent-4-enoic acid (591-80-0) → cyclohexyl-5 valerate de methyle (16076-64-5)

Guidance literature:

Multi-step reaction with 3 steps

1: chlorure de thionyle

3: 32 percent / peroxyde de di-t-butyle / 120 °C

With di-tert-butyl peroxide; chlorure de thionyle;

DOI:10.1016/S0040-4020(01)91505-4

Reference yield:

(2-propenyl)propanedioic acid diethyl ester (2049-80-1) → cyclohexyl-5 valerate de methyle (16076-64-5)

Guidance literature:

Multi-step reaction with 4 steps

2: chlorure de thionyle

4: 32 percent / peroxyde de di-t-butyle / 120 °C

With di-tert-butyl peroxide; chlorure de thionyle;

DOI:10.1016/S0040-4020(01)91505-4

upstream raw materials:

methanol

5-cyclohexylvaleric acid

Methyl 4-pentenoate

cyclohexane