4-(4-Methyl-3-pentenyl)cyclohex-3-ene-1-carbonitrile

Base Information

Chemical Name:4-(4-Methyl-3-pentenyl)cyclohex-3-ene-1-carbonitrile
CAS No.:21690-43-7
Deprecated CAS:111931-53-4
Molecular Formula:C13H19 N
Molecular Weight:189.301
Hs Code.:2926909090
European Community (EC) Number:244-530-2
DSSTox Substance ID:DTXSID80275855,DTXSID90865009
Nikkaji Number:J225.416F
Wikidata:Q82006074
Mol file:21690-43-7.mol

Synonyms:21690-43-7;4-(4-Methyl-3-pentenyl)cyclohex-3-ene-1-carbonitrile;4-(4-methylpent-3-enyl)cyclohex-3-ene-1-carbonitrile;3-Cyclohexene-1-carbonitrile, 4-(4-methyl-3-pentenyl)-;3-Cyclohexene-1-carbonitrile, 4-(4-methyl-3-penten-1-yl)-;EINECS 244-530-2;SCHEMBL17627683;DTXSID80275855;DTXSID90865009;1-(4-Methyl-3-pentene)cyclohex-1-ene-4-nitrile;4-(4-Methyl-3-pentenyl)-3-cyclohexene-1-carbonitrile;4-(4'-Methyl-3'-pentenyl)-3-cyclohexene-1-carbonitrile;111931-53-4

Suppliers and Price of 4-(4-Methyl-3-pentenyl)cyclohex-3-ene-1-carbonitrile

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 5 raw suppliers

Chemical Property of 4-(4-Methyl-3-pentenyl)cyclohex-3-ene-1-carbonitrile

Chemical Property:

Vapor Pressure:0.00104mmHg at 25°C
Boiling Point:301.7°Cat760mmHg
Flash Point:111°C
PSA：23.79000
Density:0.92g/cm³
LogP:3.98288
XLogP3:3.2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:3
Exact Mass:189.151749610
Heavy Atom Count:14
Complexity:284

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

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(=CCCC1=CCC(CC1)C#N)C

Technology Process of 4-(4-Methyl-3-pentenyl)cyclohex-3-ene-1-carbonitrile

There total 1 articles about 4-(4-Methyl-3-pentenyl)cyclohex-3-ene-1-carbonitrile 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:

: 123-35-3
7-methyl-3-methene-1,6-octadiene

: 107-13-1,25014-41-9
acrylonitrile

: 21690-43-7
1(4-methyl-3-pentenyl)-4-cyano-cyclohex-1-ene

Guidance literature:: With hydroquinone;
DOI:10.1021/jo01264a004

Reference yield: 80.0%

: 67-56-1
methanol

: 21690-43-7
1(4-methyl-3-pentenyl)-4-cyano-cyclohex-1-ene

: 53311-89-0
1(4-methyl-3-pentenyl)-4-carbmethoxy-cyclohex-1-ene

Guidance literature:: With hydrogenchloride; In water; for 0.25h; Heating;

Reference yield:

: 21690-43-7
1(4-methyl-3-pentenyl)-4-cyano-cyclohex-1-ene

: 532-87-6,20016-72-2
p-camphorene

Guidance literature:: Multi-step reaction with 4 steps

1: 80 percent / HCl / H₂O / 0.25 h / Heating

2: 1.) 50percent NaH / 1.) hexane, 75-80 deg C, 30 min; 2.) THF, 1 h, r.t.

4: 1.) 50percent NaH / 1.) 75-80 deg C, DMSO, 45 min; 2.) DMSO, r.t., 10 min; 3.) THF, 2 h; 4.) 50 deg C, 1 h

With hydrogenchloride; sodium hydride; In water;