2,6-DICYANOTOLUENE

Base Information

• Chemical Name: 2,6-DICYANOTOLUENE
• CAS No.: 2317-22-8
• Molecular Formula: C9H6 N2
• Molecular Weight: 142.16
• Hs Code.: 2926909090
• Mol file: 2317-22-8.mol

Synonyms:Isophthalonitrile,2-methyl- (6CI,7CI,8CI); 1,3-Dicyano-2-methylbenzene; 2,6-Dicyanotoluene;2-Methylisophthalonitrile

Chemical Property of 2,6-DICYANOTOLUENE

Chemical Property:

• Vapor Pressure: 0.00113mmHg at 25°C
• Melting Point: 135-137 °C(lit.)
• Refractive Index: 1.6211 (estimate)
• Boiling Point: 125-130 °C2 mm Hg(lit.)
• Flash Point: 117.2°C
• PSA: 47.58000
• Density: 1.12g/cm³
• LogP: 1.73836

Purity/Quality:

98%,99%, ^*data from raw suppliers

2-Methylisophthalonitrile ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 20/21/22-36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Uses: 2,6-Dicyanotoluene was used in the synthesis of E-2-(2,6-dcyanophenyl)-N,N-dimethylethenamine by undergoing condensation with dimethylformamide dimethyl acetal (DMFDMA).

Technology Process of 2,6-DICYANOTOLUENE

There total 6 articles about 2,6-DICYANOTOLUENE 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: 78.0%

2,6-dichlorotoluene (118-69-4) + copper(I) cyanide (544-92-3) → 2,6-dicyanotoluene (2317-22-8)

Guidance literature:

With 1-methyl-pyrrolidin-2-one; for 18h; Heating;

DOI:10.1055/s-1990-26963

Reference yield:

(3-chloro-2-methylphenyl)carbonitrile (54454-12-5) + copper(I) cyanide (544-92-3) → 2,6-dicyanotoluene (2317-22-8)

Guidance literature:

With pyridine; at 230 - 240 ℃;

DOI:10.1021/ja01465a044

Reference yield:

benzene-1,3-dicarbonitrile (626-17-5) + methyl iodide (74-88-4) → 2,6-dicyanotoluene (2317-22-8)

Guidance literature:

With lithium diisopropyl amide; Yield given. Multistep reaction; 1.) THF, -96 deg C, 0.5 h, 2.) 10 equiv of CH₃I, -96 deg C to room temp.;

DOI:10.1021/jo00134a038

upstream raw materials:

2,6-dichlorotoluene

copper(I) cyanide

benzene-1,3-dicarbonitrile

methyl iodide

Downstream raw materials:

2,6-dicyano-1-ethylbenzene

3-cyano-2-methylbenzamide

2-((E)-2-Dimethylamino-vinyl)-isophthalonitrile

5-cyanoisoquinolin-1-one

Refernces

• 1、 Skeean,Goel. "Convenient syntheses of 1,3-dihydro-1-oxo-4-isobenzofurancarboxylic acid, 1,3-dihydro-3-oxo-4-isobenzofurancarboxylic acid, and the homologous acetic acids". . p. 628 - 630. Retrieved 2007/10/02.
• 2、 Mao, Yuh-lin,Boekelheide, Virgil. "Syntheses of Dihydropyrenes with Functionality in the Cavity of the ?-Electron Cloud". . p. 2746 - 2749. Retrieved 2007/10/02.