4,6-Dimethylbenzene-1,3-dicarbonitrile

Base Information

• Chemical Name: 4,6-Dimethylbenzene-1,3-dicarbonitrile
• CAS No.: 17309-31-8
• Molecular Formula: C₁₀H₈N₂
• Molecular Weight: 156.187
• European Community (EC) Number: 683-527-4
• Mol file: 17309-31-8.mol

Synonyms:17309-31-8;4,6-dimethylisophthalonitrile;4,6-dimethyl-isophthalonitrile;4,6-dimethylbenzene-1,3-dicarbonitrile;SCHEMBL5945887;AKOS004905051;WS-02012;CS-0336856;W18759

Chemical Property of 4,6-Dimethylbenzene-1,3-dicarbonitrile

Chemical Property:

• Melting Point: 150 - 151 °C (acetic acid)
• PSA: 47.58000
• LogP: 2.04676
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 156.068748264
• Heavy Atom Count: 12
• Complexity: 226

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC(=C(C=C1C#N)C#N)C

Technology Process of 4,6-Dimethylbenzene-1,3-dicarbonitrile

There total 5 articles about 4,6-Dimethylbenzene-1,3-dicarbonitrile 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:

→ 1,3-dicyano-4,6-dimethylbenzene (17309-31-8)

Guidance literature:

With pyridine; at 200 ℃; im Autoklaven;

Reference yield:

1,5-dibromo-2,4-dimethylbenzene (615-87-2) + copper(I) cyanide (544-92-3) → 1,3-dicyano-4,6-dimethylbenzene (17309-31-8) + 5-bromo-2,4-dimethylbenzonitrile (807628-76-8)

Guidance literature:

In N,N-dimethyl-formamide; Heating;

DOI:10.1021/jo048482a

Reference yield:

1,5-dibromo-2,4-dimethylbenzene (615-87-2) + copper(I) cyanide (544-92-3) → 1,3-dicyano-4,6-dimethylbenzene (17309-31-8)

Guidance literature:

In 1-methyl-pyrrolidin-2-one; Heating;

DOI:10.1021/jo062220m

upstream raw materials:

potassium cyanide

1,5-dibromo-2,4-dimethylbenzene

copper(I) cyanide

Downstream raw materials:

4,6-dimethylisophthalic acid

4,6-bis-bromomethyl-isophthalonitrile

(4,6-dibenzoyl)isophthalic acid

1,5-dibenzoyl-2,4-dimethyl-benzene