Methyl 4-cyanocyclohexanecarboxylate

Base Information

Chemical Name:Methyl 4-cyanocyclohexanecarboxylate
CAS No.:32529-82-1
Molecular Formula:C9H13NO2
Molecular Weight:167.208
Hs Code.:2926909090
DSSTox Substance ID:DTXSID80464303
Nikkaji Number:J76.411F
Mol file:32529-82-1.mol

Synonyms:methyl 4-cyanocyclohexanecarboxylate;32529-82-1;Methyl 4-cyanocyclohexane-1-carboxylate;19145-95-0;trans-methyl 4-cyanocyclohexanecarboxylate;Methyl trans-4-cyanocyclohexanecarboxylate;(1r,4r)-methyl 4-cyanocyclohexanecarboxylate;MFCD30605599;SCHEMBL442252;SCHEMBL442253;SCHEMBL20002741;SCHEMBL22280725;DTXSID80464303;CKMQWNDVUWBSKV-UHFFFAOYSA-N;CKMQWNDVUWBSKV-ZKCHVHJHSA-N;Methyl4-cyanocyclohexanecarboxylate;methyl 4-cyanocyclohexylcarboxylate;AKOS030629407;PB42546;cis-methyl 4-cyanocyclohexanecarboxylate;AS-43239;PS-16487;SY343913;Cis-methyl 4-cyanocyclohexane-1-carboxylate;CS-0143684;CS-0309600;Methyl trans-4-cyanocyclohexane-1-carboxylate;trans-methyl 4-cyanocyclohexane-1-carboxylate;4-cyano-cyclohexanecarboxylic acid methyl ester;D96648;methyl (1r,4r)-4-cyanocyclohexane-1-carboxylate;A1-25892;20704-70-5

Suppliers and Price of Methyl 4-cyanocyclohexanecarboxylate

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

Activate Scientific
Methyl4-cyanocyclohexanecarboxylate 97%
250 mg
$ 361.00

Total 8 raw suppliers

Chemical Property of Methyl 4-cyanocyclohexanecarboxylate

Chemical Property:

PSA：50.09000
LogP:1.48938
XLogP3:1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:167.094628657
Heavy Atom Count:12
Complexity:208

Purity/Quality:

99%, ^*data from raw suppliers

Methyl4-cyanocyclohexanecarboxylate 97% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC(=O)C1CCC(CC1)C#N

Technology Process of Methyl 4-cyanocyclohexanecarboxylate

There total 1 articles about Methyl 4-cyanocyclohexanecarboxylate 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:

: 557-21-1
zinc(II) cyanide

: 1-(4-(methoxycarbonyl)cyclohexyl)-2,4,6-triphenylpyridin-1-ium tetrafluoroborate

: 32529-82-1
trans-4-cyanocyclohexane carboxylic acid methyl ester

Guidance literature:: zinc(II) cyanide; With diethylzinc; 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene; nickel dichloride; zinc dibromide; In dimethyl sulfoxide; at 20 ℃; for 0.5h; Inert atmosphere; Glovebox;

C₃₁H₃₀NO₂⁽¹⁺⁾*BF₄^(1-); In dimethyl sulfoxide; at 80 ℃; for 16h; Sealed tube;
DOI:10.1021/acs.orglett.1c01959

Reference yield: 85.0%

: 32529-82-1
trans-4-cyanocyclohexane carboxylic acid methyl ester

: 4848-16-2
4-cyano-cyclohexane carboxylic acid

Guidance literature:: With potassium hydroxide; In methanol; water;

Reference yield:

: 32529-82-1
trans-4-cyanocyclohexane carboxylic acid methyl ester

: 141-97-9
ethyl acetoacetate

: C₁₂H₁₅NO₄

Guidance literature:: trans-4-cyanocyclohexane carboxylic acid methyl ester; ethyl acetoacetate; In 1,1-dimethoxyethane; at 100 ℃; for 8.5h; Heating / reflux;

In water; at 20 ℃; for 2h;