3-Cyclohexyl-2-propynenitrile

Base Information

Chemical Name:3-Cyclohexyl-2-propynenitrile
CAS No.:73542-37-7
Molecular Formula:C9H11N
Molecular Weight:133.19034
Hs Code.:
DSSTox Substance ID:DTXSID00502594
Nikkaji Number:J3.240.297F
Wikidata:Q82355763
Mol file:73542-37-7.mol

Synonyms:3-cyclohexyl-2-propynenitrile;73542-37-7;3-CYCLOHEXYLPROP-2-YNENITRILE;3-cyclohexyl-prop-2-ynenitrile;DTXSID00502594

Suppliers and Price of 3-Cyclohexyl-2-propynenitrile

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 3 raw suppliers

Chemical Property of 3-Cyclohexyl-2-propynenitrile

Chemical Property:

PSA：23.79000
LogP:2.09368
XLogP3:3.1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:0
Exact Mass:133.089149355
Heavy Atom Count:10
Complexity:201

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

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1CCC(CC1)C#CC#N

Technology Process of 3-Cyclohexyl-2-propynenitrile

There total 5 articles about 3-Cyclohexyl-2-propynenitrile 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: 63.0%

: 506-78-5
cyanogen iodide

: 931-48-6
2-cyclohexylacetylene

: 73542-37-7
3-cyclohexyl-2-propynenitrile

Guidance literature:: With 2,2,6,6-tetramethyl-piperidine; copper(I) trifluoromethanesulfonate toluene adduct (1/1); In tetrahydrofuran; at 60 ℃; for 17h; Schlenk technique; Inert atmosphere;
DOI:10.1021/ol402863g

Reference yield: 58.0%

: 773837-37-9
sodium cyanide

: 931-48-6
2-cyclohexylacetylene

: 73542-37-7
3-cyclohexyl-2-propynenitrile

Guidance literature:: With 1-methyl-1H-imidazole; copper(II) perchlorate hexahydrate; N-ethyl-N,N-diisopropylamine; In tetrahydrofuran; at 40 ℃; for 18h; Sealed tube;
DOI:10.1021/acs.joc.8b00424

Reference yield:

: 931-48-6
2-cyclohexylacetylene

: 1122-85-6
phenyl cyanate

: 73542-37-7
3-cyclohexyl-2-propynenitrile

Guidance literature:: With n-butyllithium; Yield given. Multistep reaction; ether, hexane, 2.) -60 deg C, 30 min, 3.) -40 deg C, 15 min;
DOI:10.1055/s-1980-28955