5527-53-7

Basic information

• Product Name: 2-(4-chlorophenyl)-3-(1-methyl-1H-indol-3-yl)-2,3,4,5,6,7-hexahydro-1H-isoindol-1-one
• CAS NO: 5527-53-7
• Molecular Formula: C₂₃H₂₁ClN₂O
• Molecular Weight: 376.8786
• Mol File: 5527-53-7.mol
• Article Data: 3

Chemical Properties

• Boiling Point: 571.7°C at 760 mmHg
• Flash Point: 299.6°C
• Density: 1.31g/cm³
• Vapor Pressure: 4.43E-13mmHg at 25°C
• Refractive Index: 1.682
• CAS DataBase Reference: 2-(4-chlorophenyl)-3-(1-methyl-1H-indol-3-yl)-2,3,4,5,6,7-hexahydro-1H-isoindol-1-one(CAS DataBase Reference)
• NIST Chemistry Reference: 2-(4-chlorophenyl)-3-(1-methyl-1H-indol-3-yl)-2,3,4,5,6,7-hexahydro-1H-isoindol-1-one(5527-53-7)
• EPA Substance Registry System: 2-(4-chlorophenyl)-3-(1-methyl-1H-indol-3-yl)-2,3,4,5,6,7-hexahydro-1H-isoindol-1-one(5527-53-7)

Safety Data

• Hazardous Substances Data: 5527-53-7(Hazardous Substances Data)

Upstream product

• 105457-24-7 C₁₂H₁₅O 
• 64321-35-3 4-(1,1-Dimethylethyl)phenylmethyl ketone 
• 19692-45-6 4-tert-butylbenzyl chloride 
• 98-51-1 4-tert-butyltoluene 

Relevant articles and documents

Primary Processes in the Type I Photocleavage of Dibenzyl Ketones. A Pulsed Laser and Photochemically Induced Dynamic Nuclear Polarization Study

The primary homolytic α-cleavage, and subsequent decarbonylation of the intermediate phenacyl radicals, have been studied for the type I photoreaction of a series of dibenzyl ketones, using the techiques of pulsed laser photolysis and photochemically induced dynamic nuclear polarization (photo-CIDNP).Evidence for selective primary cleavage to produce the most stable radical pairs is obtained for unsymmetrical ketones.The absolute rate constants and activation parameters for the decarboxylations are obtained, and the relationships between these and the stabilities of the product radicals is discussed.

Substituent Effects on Benzyl Radical ESR Hyperfine Coupling Constants. The ?α*Scale Based upon Spin Delocalization

The electron spin resonance spectra of 21 para- and meta-substituted benzyl radicals have been analyzed.A substituent constant, ?α*, has been defined from the benzylic α-hydrogen hyperfine coupling constant.The ?α* constant reflects the component of energy that may be attributed to spin delocalization in a substituted benzyl radical in comparison to the unsubstituted radical.For the derivatives studied, para substitution is stabilizing, except when fluorine is the substituent; meta substitution destabilizes the benzyl radical.A series of radical reactions is reexamined with an extended Hammett relation.The relative importance of spin delocalization vs. polar effects is assessed by the ratio of ρ* to ρ.The importance of choosing substituents for which ?a* and ? differ widely for such an assessment is emphasized.