1-Cyclohexene-1-acetonitrile, 4-(1,1-dimethylethyl)-

Base Information

Chemical Name:1-Cyclohexene-1-acetonitrile, 4-(1,1-dimethylethyl)-
CAS No.:67674-39-9
Molecular Formula:C12H19N
Molecular Weight:177.29
Hs Code.:
European Community (EC) Number:266-877-9
DSSTox Substance ID:DTXSID30886854
Nikkaji Number:J333.291H

Synonyms:67674-39-9;1-Cyclohexene-1-acetonitrile, 4-(1,1-dimethylethyl)-;EINECS 266-877-9;DTXSID30886854;4-(1,1-Dimethylethyl)-1-cyclohexene-1-acetonitrile

Suppliers and Price of 1-Cyclohexene-1-acetonitrile, 4-(1,1-dimethylethyl)-

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 6 raw suppliers

Chemical Property of 1-Cyclohexene-1-acetonitrile, 4-(1,1-dimethylethyl)-

Chemical Property:

Vapor Pressure:0.0152mmHg at 25°C
Boiling Point:256.6°Cat760mmHg
Flash Point:114.7°C
PSA：23.79000
Density:0.909g/cm³
LogP:3.67268
XLogP3:3.1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:2
Exact Mass:177.151749610
Heavy Atom Count:13
Complexity:246

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

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

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

Technology Process of 1-Cyclohexene-1-acetonitrile, 4-(1,1-dimethylethyl)-

There total 4 articles about 1-Cyclohexene-1-acetonitrile, 4-(1,1-dimethylethyl)- 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: 72.0%

: 372-09-8
cyanoacetic acid

: 98-53-3
4-tercbutyl-cyclohexanone

: 67674-39-9
(4-(tert-butyl)cyclohexylidene)acetonitrile

Guidance literature:: With ammonium acetate; In toluene; at 160 ℃; for 3h;
DOI:10.1021/acs.joc.9b02797

Reference yield: 69.0%

: 2537-48-6
diethyl 1-cyanomethylphosphonate

: 98-53-3
4-tercbutyl-cyclohexanone

: 67674-39-9
(4-(tert-butyl)cyclohexylidene)acetonitrile

Guidance literature:: With sodium ethanolate; In N,N-dimethyl-formamide; -20 deg C, 30 min then RT, 30 min;
DOI:10.1002/hlca.19840670306

Reference yield:

: 372-09-8
cyanoacetic acid

: 98-53-3
4-tercbutyl-cyclohexanone

: 71750-15-7
(4-tert-butylcyclohexylidene)acetonitrile

: 67674-39-9
(4-(tert-butyl)cyclohexylidene)acetonitrile

Guidance literature:: With oenanthic acid; benzylamine; In toluene; for 24h; Reagent/catalyst; Solvent; Overall yield = 94 %; Autoclave; Reflux;