5,6-Dimethylbicyclo[2.2.1]hepta-2,5-diene-2,3-dicarbonitrile

Base Information

• Chemical Name: 5,6-Dimethylbicyclo[2.2.1]hepta-2,5-diene-2,3-dicarbonitrile
• CAS No.: 90777-42-7
• Molecular Formula: C₁₁H₁₀N₂
• Molecular Weight: 170.214
• DSSTox Substance ID: DTXSID70920165
• Mol file: 90777-42-7.mol

Synonyms:90777-42-7;Bicyclo(2.2.1)hepta-2,5-diene-2,3-dicarbonitrile, 5,6-dimethyl-;Bicyclo[2.2.1]hepta-2,5-diene-2,3-dicarbonitrile, 5,6-dimethyl-;5,6-dimethylbicyclo[2.2.1]hepta-2,5-diene-2,3-dicarbonitrile;DTXSID70920165

Chemical Property of 5,6-Dimethylbicyclo[2.2.1]hepta-2,5-diene-2,3-dicarbonitrile

Chemical Property:

• Vapor Pressure: 0.000743mmHg at 25°C
• Boiling Point: 307°C at 760 mmHg
• Flash Point: 142.7°C
• PSA: 47.58000
• Density: 1.15g/cm³
• LogP: 2.31626
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 170.084398327
• Heavy Atom Count: 13
• Complexity: 393

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C2CC1C(=C2C#N)C#N)C

Technology Process of 5,6-Dimethylbicyclo[2.2.1]hepta-2,5-diene-2,3-dicarbonitrile

There total 1 articles about 5,6-Dimethylbicyclo[2.2.1]hepta-2,5-diene-2,3-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: 52.0%

2-butynedinitrile (1071-98-3) + 1,2-dimethylcyclopent-2-en-1-ol (40459-91-4) → 2,3-dicyano-5,6-dimethylbicyclo<2.2.1>hepta-2,5-diene (90777-42-7)

Guidance literature:

In chloroform; at 60 ℃; for 6h;

DOI:10.1021/ja00251a009

upstream raw materials:

2-butynedinitrile

1,2-dimethylcyclopent-2-en-1-ol