3551-27-7

Basic information

• Product Name: cyclohepta-2,4,6-trien-1-yl
• Synonyms: 2,4,6-Cycloheptatrien-1-yl
• CAS NO: 3551-27-7
• Molecular Formula: C₇H₇
• Molecular Weight: 91.1305
• Mol File: 3551-27-7.mol
• Article Data: 7

Chemical Properties

• CAS DataBase Reference: cyclohepta-2,4,6-trien-1-yl(CAS DataBase Reference)
• NIST Chemistry Reference: cyclohepta-2,4,6-trien-1-yl(3551-27-7)
• EPA Substance Registry System: cyclohepta-2,4,6-trien-1-yl(3551-27-7)

Safety Data

• Hazardous Substances Data: 3551-27-7(Hazardous Substances Data)

Upstream product

• 35430-15-0 norborna-2,5-dien-7-yl 
• 1609-39-8 7-chlorobicyclo<2.2.1>hepta-2,5-diene 
• 35369-45-0 bicyclo<3.2.0>hepta-2,6-dien-4-yl radical 
• 110-05-4 di-tert-butyl peroxide 
• 544-25-2 Cyclohepta-1,3,5-triene 
• 4087-50-7 1,2,3,4,5,5-Hexamethyl-cyclopenta-1,3-diene 
• 831-18-5 ditropenyl 
• 108058-57-7 homobenzvalenyl radical 
• 2422-86-8 bicyclo[3.2.0]hepta-2,6-diene 

Relevant articles and documents

REARRANGEMENTS OF FREE RADICALS X: C7H7 - RADICALS AND RELATED SYSTEMS

7-Norbornadienyl radical rearranges in matrix to tropylium radical.Deuterated and cyano substituted bicyclo(3.2.0)heptadienyl radicals do not undergo 1.2-vinyl shifts prior to electrocyclic ring opening.

Radical-Stabilization-Energy - the MMEVBH Force Field

Making use of the VB method of Malrieu et al. a force field has been developed, which allows to calculate heats of formation of hydrocarbons (conjugated and non-conjugated olefins, radicals and diradicals) with high accuracy.With this method radical stabilization energies (RSE) for a great number of delocalized radicals are calculated and compared with experimental values, derived from shock-tube measurements of dissociation energies or from rotational barriers of substituted olefins.A detailed analysis of the RSE with respect to structure, substituents, strain, and aromaticity is presented. - Key Words: Resonance energy / Heats of formation / Single pulse shock tube / Intrisic rotational barrier

Rearrangements of Free Radicals, XI. Sigmatropic and Electrocyclic Reactions of Bicycloheptadienyl Radicals, 3-Quadricyclanyl Radicals, and 7-Norbornadienyl Radical

The rearrangement of matrix-isolated organic radicals with bicycloheptadienyl structure (2, 5, 11a, b), 3-quadricyclanyl structure (16,26, 27), and of 7-norbornadienyl radical 15 is studied.Final rearrangement products are radicals with tropylium structure. 16, 26, and 27 isomerize to radicals with bicycloheptadienyl skeleton before electrocyclic ring opening to tropylium radicals takes place. 7-Norbornadienyl radical 15 is the least stable radical on the C7-hypersurface.Sigmatropic 1,2-vinyl shifts in bicycloheptadienyl radicals could not be observed.Substituents do not influence the rearrangement behaviour.