1,3,5-Benzenetricarbonitrile, 2,4,6-trimethyl-

Base Information

• Chemical Name: 1,3,5-Benzenetricarbonitrile, 2,4,6-trimethyl-
• CAS No.: 1206-85-5
• Molecular Formula: C12H9 N3
• Molecular Weight: 195.224
• DSSTox Substance ID: DTXSID30152925
• Nikkaji Number: J40.562K
• Wikidata: Q83019716
• ChEMBL ID: CHEMBL3248186
• Mol file: 1206-85-5.mol

Synonyms:2,4,6-trimethylbenzene-1,3,5-tricarbonitrile;1206-85-5;1,3,5-Benzenetricarbonitrile, 2,4,6-trimethyl-;2,4,6-Trimethyltrimesonitrile;BRN 2618496;2,4,6-Trimethyl-1,3,5-benzenetricarbonitrile;tricyanomesitylene;YSWG330;4-09-00-03756 (Beilstein Handbook Reference);SCHEMBL4632645;CHEMBL3248186;DTXSID30152925;WURVTDKUHZJPJX-UHFFFAOYSA-N;2,4,6-tricyano-1,3,5-trimethylbenzene;BS-52727;CS-0170521;F72820;TRIMETHYLBENZENE-1,3,5-TRICARBONITRILE;1,3,5-Benzenetricarbonitrile,2,4,6-trimethyl-;A902359

Chemical Property of 1,3,5-Benzenetricarbonitrile, 2,4,6-trimethyl-

Chemical Property:

• Vapor Pressure: 4.88E-05mmHg at 25°C
• Boiling Point: 348.9°C at 760 mmHg
• Flash Point: 164.4°C
• Density: 1.16g/cm³
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 195.079647300
• Heavy Atom Count: 15
• Complexity: 305

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1,3,5-Benzenetricarbonitrile, 2,4,6-trimethyl-

There total 6 articles about 1,3,5-Benzenetricarbonitrile, 2,4,6-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: 46.0%

2,4,6-tribromomesitylene (608-72-0) + copper(l) cyanide → 2,4,6-trimethylbenzene-1,3,5-tricarbonitrile (1206-85-5)

Guidance literature:

In N,N-dimethyl-formamide; at 150 - 160 ℃; for 8h; Reflux;

DOI:10.1016/j.tetlet.2012.12.025

Reference yield:

2,4,6-tribromomesitylene (608-72-0) → 2,4,6-trimethylbenzene-1,3,5-tricarbonitrile (1206-85-5)

Guidance literature:

With pyridine; CuCN;

Reference yield:

1,3,5-trimethyl-benzene (108-67-8) → 2,4,6-trimethylbenzene-1,3,5-tricarbonitrile (1206-85-5)

Guidance literature:

Multi-step reaction with 2 steps

1: iron; bromine / 72 h

2: N,N-dimethyl-formamide / 60 h / Schlenk technique; Reflux; Inert atmosphere

With bromine; iron; In N,N-dimethyl-formamide;

DOI:10.1039/c7ta01364g

upstream raw materials:

2,4,6-tribromomesitylene

copper(I) cyanide

1,3,5-trimethyl-benzene

Downstream raw materials:

C₂₄H₁₈N₆