Cyclohexanecarboxylic acid, 1-ethyl-, methyl ester

Base Information

Chemical Name:Cyclohexanecarboxylic acid, 1-ethyl-, methyl ester
CAS No.:4630-81-3
Molecular Formula:C10H18O2
Molecular Weight:170.252
Hs Code.:
DSSTox Substance ID:DTXSID801226211
Nikkaji Number:J124.752B
Mol file:4630-81-3.mol

Synonyms:Cyclohexanecarboxylic acid, 1-ethyl-, methyl ester;Methyl 1-ethyl-1-cyclohexanecarboxylate;4630-81-3;Methyl=1-ethyl-1-cyclohexanecarboxylate;SCHEMBL17857;DTXSID801226211;1-ethyl-1-methoxycarbonylcyclohexane;1-ethyl-1-methyoxycarbonylcyclohexane;Methyl 1-ethylcyclohexanecarboxylate #

Suppliers and Price of Cyclohexanecarboxylic acid, 1-ethyl-, methyl ester

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 2 raw suppliers

Chemical Property of Cyclohexanecarboxylic acid, 1-ethyl-, methyl ester

Chemical Property:

Boiling Point:59 - 60 °C (5 mmHg)
PSA：26.30000
LogP:2.51990
XLogP3:2.9
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:170.130679813
Heavy Atom Count:12
Complexity:157

Purity/Quality:: 95% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCC1(CCCCC1)C(=O)OC

Technology Process of Cyclohexanecarboxylic acid, 1-ethyl-, methyl ester

There total 4 articles about Cyclohexanecarboxylic acid, 1-ethyl-, methyl ester 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:

: 4630-82-4
methyl cyclohexylcarboxylate

: 75-03-6
ethyl iodide

: 4630-81-3
1-ethyl-1-methoxycarbonylcyclohexane

Guidance literature:: methyl cyclohexylcarboxylate; With n-butyllithium; N-ethyl-N,N-diisopropylamine; lithium diisopropyl amide; In tetrahydrofuran; hexane; at 0 ℃; for 2h;

ethyl iodide; In tetrahydrofuran; hexane; at 20 ℃;

Reference yield:

: 98-89-5
Cyclohexanecarboxylic acid

: 4630-81-3
1-ethyl-1-methoxycarbonylcyclohexane

Guidance literature:: Multi-step reaction with 2 steps

1.1: sulfuric acid / 48 h / Reflux

2.1: n-butyllithium; N-ethyl-N,N-diisopropylamine; lithium diisopropyl amide / tetrahydrofuran; hexane / 2 h / 0 °C

2.2: 20 °C

With n-butyllithium; N-ethyl-N,N-diisopropylamine; lithium diisopropyl amide; sulfuric acid; In tetrahydrofuran; hexane;

Reference yield:

: 74-96-4
ethyl bromide

: 4630-82-4
methyl cyclohexylcarboxylate

: 4630-81-3
1-ethyl-1-methoxycarbonylcyclohexane

Guidance literature:: methyl cyclohexylcarboxylate; With lithium diisopropyl amide; In tetrahydrofuran; at -78 ℃; for 1h;

ethyl bromide; In tetrahydrofuran; at -78 - 20 ℃;
DOI:10.1002/anie.201311263