2,2-Dimethyl-6-methylenecyclohexaneacetonitrile

Base Information

Chemical Name:2,2-Dimethyl-6-methylenecyclohexaneacetonitrile
CAS No.:67801-22-3
Molecular Formula:C11H17N
Molecular Weight:163.2594
Hs Code.:
European Community (EC) Number:267-143-0
DSSTox Substance ID:DTXSID60886903
Nikkaji Number:J317.149C
Mol file:67801-22-3.mol

Synonyms:67801-22-3;EINECS 267-143-0;2,2-Dimethyl-6-methylenecyclohexaneacetonitrile;Cyclohexaneacetonitrile, 2,2-dimethyl-6-methylene-;DTXSID60886903;2,2-Dimethyl-6-methylene-1-cyclohexaneacetonitrile

Suppliers and Price of 2,2-Dimethyl-6-methylenecyclohexaneacetonitrile

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 2,2-Dimethyl-6-methylenecyclohexaneacetonitrile

Chemical Property:

Vapor Pressure:0.0199mmHg at 25°C
Boiling Point:251.9°Cat760mmHg
Flash Point:111.9°C
PSA：23.79000
Density:0.89g/cm³
LogP:3.28258
XLogP3:2.7
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:163.136099547
Heavy Atom Count:12
Complexity:229

Purity/Quality:: 98%Min ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

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

Technology Process of 2,2-Dimethyl-6-methylenecyclohexaneacetonitrile

There total 6 articles about 2,2-Dimethyl-6-methylenecyclohexaneacetonitrile 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:

: 773837-37-9
sodium cyanide

: C₁₇H₂₄O₃S

: 67801-22-3
(R)-2-(2,2-dimethyl-6-methylenecyclohexyl)acetonitrile

Guidance literature:: C₁₇H₂₄O₃S; With pyridine; dmap; for 4h;

sodium cyanide; In dimethyl sulfoxide; at 80 - 90 ℃; for 5h;
DOI:10.3390/md17040245

Reference yield:

: 930649-64-2
(R)-(2,2-dimethyl-6-methylenecyclohexyl)methyl acetate

: 67801-22-3
(R)-2-(2,2-dimethyl-6-methylenecyclohexyl)acetonitrile

Guidance literature:: Multi-step reaction with 2 steps

1.1: sodium hydroxide / methanol / Reflux

2.1: pyridine; dmap / 4 h

2.2: 5 h / 80 - 90 °C

With pyridine; dmap; sodium hydroxide; In methanol;
DOI:10.3390/md17040245

Reference yield:

: 3-(hydroxymethyl)-4,4-dimethyl-2-methylenecyclohexanol

: 67801-22-3
(R)-2-(2,2-dimethyl-6-methylenecyclohexyl)acetonitrile

Guidance literature:: Multi-step reaction with 5 steps

1.1: Pseudomonas cepacia lipase / Enzymatic reaction

2.1: pyridine; dmap / 8 h / 20 °C

3.1: triphenylphosphine; triethylamine; bis-triphenylphosphine-palladium(II) chloride; formic acid / tetrahydrofuran / 6 h / Inert atmosphere; Reflux

4.1: sodium hydroxide / methanol / Reflux

5.1: pyridine; dmap / 4 h

5.2: 5 h / 80 - 90 °C

With pyridine; dmap; bis-triphenylphosphine-palladium(II) chloride; formic acid; Pseudomonas cepacia lipase; triethylamine; triphenylphosphine; sodium hydroxide; In tetrahydrofuran; methanol;
DOI:10.3390/md17040245