Methyl 4-prop-2-ynylcyclohexanecarboxylate

Base Information

Chemical Name:Methyl 4-prop-2-ynylcyclohexanecarboxylate
CAS No.:250682-81-6
Molecular Formula:C11H16O2
Molecular Weight:180.247
Hs Code.:
DSSTox Substance ID:DTXSID00444304
Mol file:250682-81-6.mol

Synonyms:250682-81-6;Methyl 4-prop-2-ynylcyclohexanecarboxylate;trans-4-(2-Propynyl)cyclohexanecarboxylic Acid Methyl Ester;Methyl 4-prop-2-ynylcyclohexane-1-carboxylate;Methyl trans-4-(prop-2-yn-1-yl)cyclohexane-1-carboxylate;starbld0006659;SCHEMBL243310;SCHEMBL3425669;SCHEMBL13461145;DTXSID00444304;VFOQETNBTUILTQ-UHFFFAOYSA-N;CS-0492425;FT-0674119;J-015800;4-prop-2-ynyl-cyclohexanecarboxylic acid methyl ester;trans-Methyl 4-(prop-2-yn-1-yl)cyclohexanecarboxylate

Suppliers and Price of Methyl 4-prop-2-ynylcyclohexanecarboxylate

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

TRC
trans-4-(2-Propynyl)cyclohexanecarboxylicAcidMethylEster
5mg
$ 225.00

Medical Isotopes, Inc.
trans-4-(2-Propynyl)cyclohexanecarboxylicAcidMethylEster
50 mg
$ 2200.00

Total 1 raw suppliers

Chemical Property of Methyl 4-prop-2-ynylcyclohexanecarboxylate

Chemical Property:

Boiling Point:233.4±13.0 °C(Predicted)
PSA：26.30000
Density:0.990±0.06 g/cm3(Predicted)
LogP:1.98910
Storage Temp.:Refrigerator
Solubility.:Dichloromethane, Methanol
XLogP3:2.5
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:180.115029749
Heavy Atom Count:13
Complexity:216

Purity/Quality:: trans-4-(2-Propynyl)cyclohexanecarboxylicAcidMethylEster ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

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

Technology Process of Methyl 4-prop-2-ynylcyclohexanecarboxylate

There total 6 articles about Methyl 4-prop-2-ynylcyclohexanecarboxylate 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: 80.0%

: 250682-80-5
4-prop-2-ynylcyclohexanecarboxylic acid

: 18107-18-1
diazomethyl-trimethyl-silane

: 250682-81-6
methyl 4-prop-2-ynylcyclohexanecarboxylate

Guidance literature:: In methanol; hexane; dichloromethane; at 20 ℃; for 0.25h;
DOI:10.1021/jm0003642

Reference yield:

: 250682-79-2
(4-prop-2-ynylcyclohexyl)methanol

: 250682-81-6
methyl 4-prop-2-ynylcyclohexanecarboxylate

Guidance literature:: 1: Jones oxidation;
DOI:10.1038/sj.bjp.0703893

Reference yield:

: 3236-48-4
trans-1,4-Cyclohexanedimethanol

: 250682-81-6
methyl 4-prop-2-ynylcyclohexanecarboxylate

Guidance literature:: Multi-step reaction with 6 steps

1: imidazole / dimethylformamide

2: pyridine / CHCl₃

3: tetrabutylammonium fluoride

With pyridine; 1H-imidazole; tetrabutyl ammonium fluoride; In chloroform; N,N-dimethyl-formamide; 5: Jones oxidation;
DOI:10.1038/sj.bjp.0703893