1035454-34-2

Basic information

• Product Name: 1-mesityl-8-(4-cyano-2-methylphenyl)biphenylene
• Synonyms: 1-mesityl-8-(4-cyano-2-methylphenyl)biphenylene
• CAS NO: 1035454-34-2
• Molecular Weight: 385.508
• Mol File: 1035454-34-2.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: 1-mesityl-8-(4-cyano-2-methylphenyl)biphenylene(CAS DataBase Reference)
• NIST Chemistry Reference: 1-mesityl-8-(4-cyano-2-methylphenyl)biphenylene(1035454-34-2)
• EPA Substance Registry System: 1-mesityl-8-(4-cyano-2-methylphenyl)biphenylene(1035454-34-2)

Safety Data

• Hazardous Substances Data: 1035454-34-2(Hazardous Substances Data)

Upstream product

• 1035454-48-8 1-bromo-8-(2,4,6-trimethylphenyl)biphenylene 
• 313546-18-8 (4-cyano-2-methylphenyl)boronic acid 

Relevant articles and documents

Through-space interactions between parallel-offset arenes at the van der Waals distance: 1,8-Diarylbiphenylene syntheses, structure and QM computations

A model for studying polar-π interactions between arenes spaced at van der Waals distances is developed on the basis of peri-diarylbiphenylenes. A set of 1,8-diarylbiphenylenes is synthesized comprising two Hammett series, one with reference to mesityl ring interactions and the other with reference to pentafluorophenyl ring interactions. X-Ray crystal structures of several derivatives are determined. Barriers to rotation of the probe aryl ring are derived from dynamic NMR data and show a trend for the mesityl reference series (ΔG≠vs. σ°). The model is also used as a test for comparison of modern density functional methods, including B3LYP, M06-2X and BMK functionals; dispersive effects are seen to be an important factor in the proper theoretical treatment of arene interactions. the Owner Societies.