2,6-Dimethylterephthalonitrile

Base Information

• Chemical Name: 2,6-Dimethylterephthalonitrile
• CAS No.: 95216-09-4
• Molecular Formula: C₁₀H₈N₂
• Molecular Weight: 156.187
• Hs Code.: 2926909090
• DSSTox Substance ID: DTXSID40539581
• Nikkaji Number: J354.618G
• Wikidata: Q63395454
• Mol file: 95216-09-4.mol

Synonyms:2,6-Dimethylterephthalonitrile;95216-09-4;SCHEMBL2153883;DTXSID40539581;2,6-DIMETHYLTEREPHTALONITRILE;2,6-Dimethylbenzene-1,4-dicarbonitrile;Q63395454

Chemical Property of 2,6-Dimethylterephthalonitrile

Chemical Property:

• PSA: 47.58000
• LogP: 2.04676
• Storage Temp.: 2-8°C
• 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: 240

Purity/Quality:

97% ^*data from raw suppliers

2,6-Dimethylterephthalonitrile 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2,6-Dimethylterephthalonitrile

There total 6 articles about 2,6-Dimethylterephthalonitrile 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:

15,18-Dicyan-6,9-dimethoxy-2,11-dithia<3.3>metacyclophan-2,2,11,11-tetraoxid (96409-72-2) → 1,4-dicyano-2,6-dimethylbenzene (95216-09-4) + 13,16-Dicyan-5,8-dimethoxy<2.2>metacyclophan

Guidance literature:

at 480 - 500 ℃; under 0.001 - 0.01 Torr;

Reference yield:

2,6-Bis(brommethyl)-1,4-benzoldicarbonitril (96409-70-0) → 1,4-dicyano-2,6-dimethylbenzene (95216-09-4)

Guidance literature:

Multi-step reaction with 3 steps

1: 40 percent / NaOH / benzene; aq. ethanol; 2-methyl-propan-2-ol / 8 h / Heating

2: 85 percent / 85percent H₂O₂ / CHCl₃; acetic acid / 42 h / 20 °C

3: 6 mg / 480 - 500 °C / 0 - 0.01 Torr

With sodium hydroxide; dihydrogen peroxide; In ethanol; chloroform; acetic acid; tert-butyl alcohol; benzene;

Reference yield:

15,18-Dicyan-6,9-dimethoxy-2,11-dithia<3.3>metacyclophan (96409-71-1) → 1,4-dicyano-2,6-dimethylbenzene (95216-09-4)

Guidance literature:

Multi-step reaction with 2 steps

1: 85 percent / 85percent H₂O₂ / CHCl₃; acetic acid / 42 h / 20 °C

2: 6 mg / 480 - 500 °C / 0 - 0.01 Torr

With dihydrogen peroxide; In chloroform; acetic acid;

upstream raw materials:

3,5-Dimethyl-4-oxycyano-benzonitrile

15,18-Dicyan-6,9-dimethoxy-2,11-dithia<3.3>metacyclophan-2,2,11,11-tetraoxid

2,6-Bis(brommethyl)-1,4-benzoldicarbonitril

15,18-Dicyan-6,9-dimethoxy-2,11-dithia<3.3>metacyclophan

Downstream raw materials:

2,6-Bis(brommethyl)-1,4-benzoldicarbonitril

4-(((tert-butyldimethylsilyl)oxy)(phenyl)methyl)-2,6-dimethylbenzonitrile

4-(((tertbutyldimethylsilyl)oxy)(phenyl)methyl)-3,5-dimethylbenzonitrile