Cyclohexyl cyclohexanecarboxylate

Base Information

• Chemical Name: Cyclohexyl cyclohexanecarboxylate
• CAS No.: 15840-96-7
• Molecular Formula: C13H22 O2
• Molecular Weight: 210.316
• Hs Code.: 2916209090
• European Community (EC) Number: 239-945-0
• NSC Number: 406680
• UNII: VYL4CF44GX
• DSSTox Substance ID: DTXSID80166416
• Nikkaji Number: J114.028K
• Wikidata: Q83035601
• Mol file: 15840-96-7.mol

Synonyms:Cyclohexyl cyclohexanecarboxylate;15840-96-7;Cyclohexanecarboxylic acid, cyclohexyl ester;EINECS 239-945-0;MFCD20528371;NSC-406680;AI3-04802;CyclohexylCyclohexanecarboxylate;cyclohexyl cyclohexanoate;VYL4CF44GX;SCHEMBL170007;DTXSID80166416;Cyclohexyl cyclohexanecarboxylate #;NSC406680;AKOS015919668;NSC 406680;s10561;DS-15790;SY022093;Cyclohexanecarboxylic acid cyclohexyl ester;AM20070458;CS-0155337;FT-0688404

Chemical Property of Cyclohexyl cyclohexanecarboxylate

Chemical Property:

• Vapor Pressure: 0.00568mmHg at 25°C
• Melting Point: 171-172 °C
• Boiling Point: 273.6°Cat760mmHg
• Flash Point: 118.3°C
• PSA: 26.30000
• Density: 1g/cm³
• LogP: 3.44260
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 210.161979940
• Heavy Atom Count: 15
• Complexity: 201

Purity/Quality:

98%min ^*data from raw suppliers

CyclohexylCyclohexanecarboxyla?te ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC(CC1)C(=O)OC2CCCCC2
• Uses: Cyclohexyl Cyclohexanecarboxyla?te is used in the preparation of carboxylic acid esters and lactones from alcohols and acids in presence of benzoic acid anhydride derivatives.

Technology Process of Cyclohexyl cyclohexanecarboxylate

There total 25 articles about Cyclohexyl 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%

cyclohexanol (108-93-0) + Cyclohexanecarboxylic acid (98-89-5) → cyclohexyl cyclohexanecarboxylate (15840-96-7)

Guidance literature:

zirconium(IV) oxide; at 210 ℃; for 2h; in autoclave; 5 h, reflux in liquid-phase;

DOI:10.1246/bcsj.62.2353

Reference yield: 94.0%

cyclohexane (110-82-7,25012-93-5) + carbon monoxide (201230-82-2) + cyclohexanol (108-93-0) → cyclohexyl cyclohexanecarboxylate (15840-96-7)

Guidance literature:

With di-tert-butyl peroxide; triphenylphosphine; palladium dichloride; In 1,2-dichloro-ethane; at 110 ℃; for 24h; under 3800.26 Torr; Autoclave;

DOI:10.1002/chem.201602791

Reference yield: 94.0%

C14H13Cl3O3 (204579-11-3) + cyclohexanol (108-93-0) → cyclohexyl cyclohexanecarboxylate (15840-96-7) + 2,4,6-trichloro-benzoic acid cyclohexyl ester

Guidance literature:

With dmap; In benzene; at 20 ℃;

DOI:10.1021/jo030367x

upstream raw materials:

benzoic acid phenyl ester

cyclohexanecarbonyl peroxide

cyclohexanol

Cyclohexanecarboxylic acid

Refernces

• 1、 Masamune et al.. "". . p. 3515,3516. Retrieved 1975.
• 2、 Lu, Lijun,Cheng, Danyang,Zhan, Yuanfeng,Shi, Renyi,Chiang, Chien-Wei,Lei, Aiwen. "Metal-free radical oxidative alkoxycarbonylation and imidation of alkanes". supporting information. p. 6852 - 6855. Retrieved 2017/07/10.
• 3、 Lu, Lijun,Shi, Renyi,Liu, Luyao,Yan, Jingwen,Lu, Fangling,Lei, Aiwen. "Oxidative Alkane C?H Alkoxycarbonylation". supporting information. p. 14484 - 14488. Retrieved 2016/10/03.