2-Cyclohexene-1-acetonitrile, 2,6,6-trimethyl-

Base Information

Chemical Name:2-Cyclohexene-1-acetonitrile, 2,6,6-trimethyl-
CAS No.:57576-14-4
Deprecated CAS:165657-70-5
Molecular Formula:C11H17N
Molecular Weight:163.263
Hs Code.:
European Community (EC) Number:260-821-7
DSSTox Substance ID:DTXSID30886233
Nikkaji Number:J296.737E
Mol file:57576-14-4.mol

Synonyms:57576-14-4;alpha-Cyclogeranylnitrile;2-Cyclohexene-1-acetonitrile, 2,6,6-trimethyl-;2,6,6-Trimethyl-2-cyclohexene-1-acetonitrile;EINECS 260-821-7;SCHEMBL2427497;DTXSID30886233

Suppliers and Price of 2-Cyclohexene-1-acetonitrile, 2,6,6-trimethyl-

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 2-Cyclohexene-1-acetonitrile, 2,6,6-trimethyl-

Chemical Property:

Vapor Pressure:0.0208mmHg at 25°C
Boiling Point:251.2°C at 760 mmHg
Flash Point:111.5°C
PSA：23.79000
Density:0.872g/cm³
LogP:3.28258
XLogP3:2.5
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:163.136099547
Heavy Atom Count:12
Complexity:239

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

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=CCCC(C1CC#N)(C)C

Technology Process of 2-Cyclohexene-1-acetonitrile, 2,6,6-trimethyl-

There total 4 articles about 2-Cyclohexene-1-acetonitrile, 2,6,6-trimethyl- 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: 99.7%

: 51332-89-9
Cyclogeranyl methanesulfonate

: 143-33-9,25596-52-5
sodium cyanide

: 57576-14-4
(2,6,6-Trimethyl-2-cyclohexenyl)acetonitrile

Guidance literature:: In dimethyl sulfoxide; at 60 ℃; for 5h;
DOI:10.1021/jo00117a005

Reference yield:

: 79857-84-4
(3E)-8-hydroxy-4,8-dimethyl-3-nonenenitrile

: 57576-14-4
(2,6,6-Trimethyl-2-cyclohexenyl)acetonitrile

: 57576-15-5
(2,6,6-trimethylcyclohex-1-enyl)acetonitrile

Guidance literature:: With boron trifluoride diacetate; In dichloromethane; at 20 ℃; for 1h; Yield given. Yields of byproduct given;
DOI:10.1246/cl.1981.1125

Reference yield:

: 57576-16-6
(3E)-7-bromo-8-hydroxy-4,8-dimethyl-3-nonenenitrile

: 57576-14-4
(2,6,6-Trimethyl-2-cyclohexenyl)acetonitrile

Guidance literature:: Multi-step reaction with 2 steps

1: Bu₃SnH / benzene / 3 h / Heating

2: BF₃*2AcOH / CH₂Cl₂ / 1 h / 20 °C

With tri-n-butyl-tin hydride; boron trifluoride diacetate; In dichloromethane; benzene;
DOI:10.1246/cl.1981.1125