Cyclohexylmethyl cyclohexanecarboxylate

Base Information

• Chemical Name: Cyclohexylmethyl cyclohexanecarboxylate
• CAS No.: 2611-02-1
• Molecular Formula: C14H24 O2
• Molecular Weight: 224.343
• Hs Code.: 2916209090
• European Community (EC) Number: 220-032-0
• UNII: FQ8CDC3E94
• DSSTox Substance ID: DTXSID30180743
• Nikkaji Number: J192.115K
• Wikidata: Q83051345
• Mol file: 2611-02-1.mol

Synonyms:Cyclohexylmethyl cyclohexanecarboxylate;2611-02-1;Cyclohexanecarboxylic acid, cyclohexylmethyl ester;FQ8CDC3E94;Cyclohexylmethyl cyclohexanoate;SCHEMBL312981;DTXSID30180743;Cyclohexylmethylcyclohexanecarboxylate;EINECS 220-032-0;MFCD20528370;AKOS015840743;s10623;Cyclohexanemethanol cyclohexanecarboxylate;AS-68368;AM20070476;FT-0688405;cyclohexanecarboxylic acid cyclohexyl-methyl ester

Chemical Property of Cyclohexylmethyl cyclohexanecarboxylate

Chemical Property:

• Vapor Pressure: 0.0023mmHg at 25°C
• Boiling Point: 288.7°Cat760mmHg
• Flash Point: 129.1°C
• PSA: 26.30000
• Density: 0.99g/cm³
• LogP: 3.69020
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 4.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 224.177630004
• Heavy Atom Count: 16
• Complexity: 213

Purity/Quality:

98%min ^*data from raw suppliers

CyclohexylmethylCyclohexanecarboxyla?te ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC(CC1)COC(=O)C2CCCCC2
• Uses: Cyclohexylmethyl Cyclohexanecarboxyla?te is used in the synthetic preparation of esters using iodine-mediated oxidative condensation of alcohols.

Technology Process of Cyclohexylmethyl cyclohexanecarboxylate

There total 33 articles about Cyclohexylmethyl cyclohexanecarboxylate 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: 100.0%

cyclohexanecarbaldehyde (2043-61-0) → cyclohexylmethyl cyclohexanecarboxylate (2611-02-1)

Guidance literature:

With [(Im^DippN)Th{N(SiMe₃)₂}₃]; In benzene-d6; at 20 ℃; for 12h; Reagent/catalyst;

DOI:10.1021/ja5091436

Reference yield: 85.0%

cyclohexylmethyl alcohol (100-49-2) → cyclohexylmethyl cyclohexanecarboxylate (2611-02-1) + Cyclohexanecarboxylic acid (98-89-5)

Guidance literature:

With sodium bromate; sodium hydrogensulfite; for 2h; Ambient temperature;

DOI:10.1246/cl.1995.871

Reference yield: 82.0%

4-methoxy-benzaldehyde (123-11-5) + cyclohexanecarbaldehyde (2043-61-0) → cyclohexylmethyl cyclohexanecarboxylate (2611-02-1) + 4-methoxybenzyl 4-methoxybenzoate (24318-43-2) + cyclohexanecarboxylic acid 4-methoxybenzylic ester

Guidance literature:

With bis(1,5-cyclooctadiene)nickel ⁽⁰⁾; 1,3-bis(2,6-diisopropylphenyl)dihydroimidazol-2-ylidene; In toluene; at 40 ℃; for 4h; Inert atmosphere;

DOI:10.1021/ja109908x

upstream raw materials:

benzoic acid benzyl ester

cyclohexylmethyl alcohol

Cyclohexanecarboxylic acid

propionaldehyde

Downstream raw materials:

benzyl cyclohexanecarboxylate

cyclohexilmethyl benzoate

ethyl cyclohexanecarboxylate