99277-30-2

Basic information

• Product Name: 1-Cyclohexylphenalen
• CAS NO: 99277-30-2
• Molecular Weight: 248.368
• Mol File: 99277-30-2.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: 1-Cyclohexylphenalen(CAS DataBase Reference)
• NIST Chemistry Reference: 1-Cyclohexylphenalen(99277-30-2)
• EPA Substance Registry System: 1-Cyclohexylphenalen(99277-30-2)

Safety Data

• Hazardous Substances Data: 99277-30-2(Hazardous Substances Data)

Upstream product

• 108-85-0 1-bromocyclohexane 
• 548-39-0 Perinaphthenon 

Relevant articles and documents

Investigation of Spin Density Transfer into Cyclopropyl and Cyclohexyl Groups by ENDOR and TRIPLE Resonance, INDO and MINDO/3 Calculations

By performing EPR, ENDOR, and TRIPLE experiments on the 1-cyclopropyl- and 1-cyclohexylphenalenyl radicals as well as the radical anions of 9-cyclopropyl- and 9-cyclohexylanthracene the hyperfine coupling constants, including their signs, were determined.An attempt was made to determine the optimum geometries of these radicals or of model systems by MINDO/3 caclculations.The dependence of the potential functions as well as the hyperfine coupling constants of the radicals on the dihedral angle between the cycloalkyl group and the ?-system were calculated by the INDO method.Conclusions with respect to the preferred conformations and the mechanism of spin density transfer into the cycloalkyl groups were drawn from a comparison with the experimental data.The hindrance of free rotation of the cycloalkyl groups is mainly caused by steric interactions with hydrogen atoms in peri-positions.Whereas the two ring systems are oriented almost perpendicular to each other in the radical anion of 9-cyclohexylanthracene, the eclipsed conformation is preferred in the corresponding cyclopropyl compound.