4-Methylphenyl cyclohexanecarboxylate

Base Information

Chemical Name:4-Methylphenyl cyclohexanecarboxylate
CAS No.:14224-22-7
Molecular Formula:C14H18 O2
Molecular Weight:218.296
Hs Code.:2916209090
European Community (EC) Number:238-094-2
UNII:ZAN67C8DKQ
DSSTox Substance ID:DTXSID20161980
Nikkaji Number:J216.914B
Wikidata:Q83030463
Mol file:14224-22-7.mol

Synonyms:4-Methylphenyl cyclohexanecarboxylate;14224-22-7;(4-methylphenyl) cyclohexanecarboxylate;ZAN67C8DKQ;EINECS 238-094-2;4-methylphenylcyclohexanecarboxylate;UNII-ZAN67C8DKQ;p-cresyl cyclohexanecarboxylate;SCHEMBL7100273;DTXSID20161980;Cyclohexanecarboxylic acid 4-methylphenyl ester;Cyclohexanecarboxylic acid, 4-methylphenyl ester;AO-548/40152488

Suppliers and Price of 4-Methylphenyl cyclohexanecarboxylate

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 4 raw suppliers

Chemical Property of 4-Methylphenyl cyclohexanecarboxylate

Chemical Property:

Vapor Pressure:0.00039mmHg at 25°C
Boiling Point:317.2°Cat760mmHg
Flash Point:112.2°C
PSA：26.30000
Density:1.06g/cm³
LogP:3.48070
XLogP3:4.1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:218.130679813
Heavy Atom Count:16
Complexity:223

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=CC=C(C=C1)OC(=O)C2CCCCC2

Technology Process of 4-Methylphenyl cyclohexanecarboxylate

There total 5 articles about 4-Methylphenyl 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: 91.0%

: 106-44-5
p-cresol

: cyclohexanecarboxylic dithioperoxyanhydride

: 14224-22-7
cyclohexanecarboxylic 4-methylphenyl-ester

Guidance literature:: With dmap; triethylamine; In dichloromethane; at 20 ℃; for 3h;
DOI:10.1021/acs.orglett.6b02818

Reference yield:

: 2719-27-9
cyclohexanylcarbonyl chloride

: 14224-22-7
cyclohexanecarboxylic 4-methylphenyl-ester

Guidance literature:: Multi-step reaction with 2 steps

1: tetrabutylammomium bromide; sodium sulfide / toluene; water / 1 h / 20 °C

2: dmap; triethylamine / dichloromethane / 3 h / 20 °C

With dmap; sodium sulfide; tetrabutylammomium bromide; triethylamine; In dichloromethane; water; toluene;
DOI:10.1021/acs.orglett.6b02818

Reference yield:

: 106-44-5
p-cresol

: C₁₆H₂₈N₂O₄

: 14224-22-7
cyclohexanecarboxylic 4-methylphenyl-ester

Guidance literature:: With zinc trifluoromethanesulfonate; potassium carbonate; In N,N-dimethyl-formamide; at 20 ℃; for 21h;
DOI:10.1002/adsc.201701646