3,7-Dimethyl-2,6-nonadienenitrile

Base Information

• Chemical Name: 3,7-Dimethyl-2,6-nonadienenitrile
• CAS No.: 61792-11-8
• Molecular Formula: C11H17N
• Molecular Weight: 163.263
• European Community (EC) Number: 263-214-5
• UNII: L15XK7HQ9V
• DSSTox Substance ID: DTXSID901045139
• Nikkaji Number: J56.064B
• Mol file: 61792-11-8.mol

Synonyms:3,7-Dimethyl-2,6-nonadienenitrile;L15XK7HQ9V;61792-11-8;3,7-Dimethyl-2,6-nonadienenitrile, (2E,6E)-;UNII-L15XK7HQ9V;(E,E)-3,7-Dimethyl-2,6-nonadienenitrile;(2E,6E)-3,7-Dimethyl-2,6-nonadienenitrile;2,6-Nonadienenitrile, 3,7-dimethyl-, (2E,6E)-;1450589-72-6;(2E,6E)-3,7-dimethylnona-2,6-dienenitrile;SCHEMBL233976;DTXSID901045139;A833423

Chemical Property of 3,7-Dimethyl-2,6-nonadienenitrile

Chemical Property:

• Vapor Pressure: 0.00884mmHg at 25°C
• Refractive Index: 1.4600 (estimate)
• Boiling Point: 266°Cat760mmHg
• Flash Point: 114.8°C
• PSA: 23.79000
• Density: 0.857g/cm³
• LogP: 3.59278
• Water Solubility.: 42mg/L at 20℃
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 163.136099547
• Heavy Atom Count: 12
• Complexity: 225

Purity/Quality:

99.9% ^*data from raw suppliers

3,7-Dimethyl-2,6-nonadienenitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(=CCCC(=CC#N)C)C
• Isomeric SMILES: CC/C(=C/CC/C(=C/C#N)/C)/C
• Uses: 3,7-Dimethyl-2,6-nonadienenitrile compound in perfume for cosmetics and household products.

Technology Process of 3,7-Dimethyl-2,6-nonadienenitrile

There total 5 articles about 3,7-Dimethyl-2,6-nonadienenitrile 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: 60.6%

6-methyl-5-octen-2-one (24199-46-0) + methyl 2-cyanoacetate (105-34-0) → 3,7-dimethylnona-2,6-dienenitrile (61792-11-8) + 3,7-dimethyl-3,6-nonadiene nitrile (1005418-58-5) + 7-methyl-3-methylene-6-nonene nitrile (1108727-44-1)

Guidance literature:

6-methyl-5-octen-2-one; methyl 2-cyanoacetate; With sodium methylate; In methanol; Reflux;

With acetic acid; In methanol;

Reference yield: 34.6%

6-methyl-5-octen-2-one (24199-46-0) + cyanoacetic acid (372-09-8) → 3,7-dimethylnona-2,6-dienenitrile (61792-11-8)

Guidance literature:

With piperidine; ammonium acetate; In toluene; at 141 ℃; for 6.25h; under 150.015 Torr; Inert atmosphere; Reflux; Dean-Stark;

Reference yield:

6-methyl-5-octen-2-one (24199-46-0) + cyanoacetic acid (372-09-8) → 3,7-dimethylnona-2,6-dienenitrile (61792-11-8) + 3,7-dimethyl-3,6-nonadiene nitrile (1005418-58-5) + 7-methyl-3-methylene-6-nonene nitrile (1108727-44-1)

Guidance literature:

With pyridine; ammonium acetate; In toluene; Reflux;

upstream raw materials:

6-methyl-5-octen-2-one

acetonitrile

methyl 2-cyanoacetate

cyanoacetic acid

Refernces

• 1、 -. "NOVEL PROCESS FOR THE MANUFACTURE OF METHYL LIMONITRILE". Page/Page column 20-21; 26. . Retrieved 2013/08/28.
• 2、 -. "Novel process for the manufacture of methyl limonitrile". Paragraph 0066-0073. . Retrieved 2013/09/11.