1-Methylcyclohexane-1-carboxylate

Base Information

• Chemical Name: 1-Methylcyclohexane-1-carboxylate
• CAS No.: 103884-34-0
• Molecular Formula: C8H14 O2
• Molecular Weight: 142.198
• DSSTox Substance ID: DTXSID50426150
• Wikidata: Q82239118
• Mol file: 103884-34-0.mol

Synonyms:1-methylcyclohexane-1-carboxylate;103884-34-0;1-methyl-1-cyclohexanecarboxylate;DTXSID50426150;A802552

Chemical Property of 1-Methylcyclohexane-1-carboxylate

Chemical Property:

• PSA: 40.13000
• LogP: 0.70670
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 141.091554653
• Heavy Atom Count: 10
• Complexity: 129

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(CCCCC1)C(=O)[O-]

Technology Process of 1-Methylcyclohexane-1-carboxylate

There total 4 articles about 1-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: 95.0%

formic acid (64-18-6) + 1-Methylcyclohexanol (590-67-0) → 1-methylcyclohexyl formate (103884-34-0)

Guidance literature:

With sulfuric acid; silica gel; In hexane; for 1.25h; Heating;

DOI:10.1080/10426500307877

Reference yield: 81.8%

1-Methylcyclohexanol (590-67-0) + 4-methoxy-benzoyl chloride (100-07-2) → 1-methylcyclohexyl formate (103884-34-0)

Guidance literature:

With potassium carbonate; In dichloromethane; for 4h; Ambient temperature;

DOI:10.1021/jo00369a048

Reference yield: 44.0%

methanol (67-56-1) + 1-Methylcyclohexanol (590-67-0) → 1-methylcyclohexyl formate (103884-34-0)

Guidance literature:

With [bis({2‐[bis(propan‐2‐yl)phosphanyl]ethyl})amine](borohydride)(carbonyl)(hydride)iron(II); methacrylic acid methyl ester; In toluene; at 140 ℃; for 8h; under 13689.1 Torr; Autoclave; Inert atmosphere;

upstream raw materials:

1-Methylcyclohexanol

4-methoxy-benzoyl chloride

formic acid

methanol

Downstream raw materials:

formic acid

1-Methylcyclohexanol

Refernces

• 1、 -. "PROCESS FOR MAKING FORMIC ACID UTILIZING LOWER-BOILING FORMATE ESTERS". Paragraph 00177; 00178. . Retrieved 2019/02/15.
• 2、 Shirini, Farhad,Zolfigol, Mohammad Ali,Mohammadi, Kamal. "Acetylation and formylation of alcohols in the presence of silica sulfuric acid". . p. 1617 - 1621. Retrieved 2007/10/03.