(4-Tert-butylcyclohexylidene)acetonitrile

Base Information

Chemical Name:(4-Tert-butylcyclohexylidene)acetonitrile
CAS No.:71750-15-7
Molecular Formula:C12H19N
Molecular Weight:177.29
Hs Code.:
DSSTox Substance ID:DTXSID60444300
Nikkaji Number:J832.788B

Synonyms:(4-Tert-butylcyclohexylidene)acetonitrile;71750-15-7;Acetonitrile, [4-(1,1-dimethylethyl)cyclohexylidene]-;2-(4-tert-butylcyclohexylidene)acetonitrile;SCHEMBL2656593;DTXSID60444300;LGKSBOWXFBSGKD-UHFFFAOYSA-N;AKOS010968655

Suppliers and Price of (4-Tert-butylcyclohexylidene)acetonitrile

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 (4-Tert-butylcyclohexylidene)acetonitrile

Chemical Property:

XLogP3:3.4
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:177.151749610
Heavy Atom Count:13
Complexity:236

Purity/Quality:: 85.0-99.8% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

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

Technology Process of (4-Tert-butylcyclohexylidene)acetonitrile

There total 5 articles about (4-Tert-butylcyclohexylidene)acetonitrile 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: 71.0%

: 2537-48-6
diethyl 1-cyanomethylphosphonate

: 98-53-3
4-tercbutyl-cyclohexanone

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

Guidance literature:: With sodium hydride; In 1,2-dimethoxyethane; 1.) 10 deg C, 10 min, 2.) r.t., overnight;
DOI:10.1080/00304949709355231

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;

Reference yield:

: 98-54-4
para-tert-butylphenol

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

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

Guidance literature:: Multi-step reaction with 2 steps

1: borax; 5%-palladium/activated carbon; hydrogen / water; methyl cyclohexane / 5 h / 100 °C / 3800.26 Torr / Autoclave

2: benzylamine; oenanthic acid / toluene / 24 h / Autoclave; Reflux

With borax; oenanthic acid; 5%-palladium/activated carbon; hydrogen; benzylamine; In water; methyl cyclohexane; toluene; 2: |Knoevenagel Condensation;