78751-62-9

Basic information

• Product Name: Pyrene, 2-(1,1-dimethylethyl)-
• CAS NO: 78751-62-9
• Molecular Formula: C20H18
• Molecular Weight: 258.363
• Mol File: 78751-62-9.mol
• Article Data: 3

Chemical Properties

• CAS DataBase Reference: Pyrene, 2-(1,1-dimethylethyl)-(CAS DataBase Reference)
• NIST Chemistry Reference: Pyrene, 2-(1,1-dimethylethyl)-(78751-62-9)
• EPA Substance Registry System: Pyrene, 2-(1,1-dimethylethyl)-(78751-62-9)

Safety Data

• Hazardous Substances Data: 78751-62-9(Hazardous Substances Data)

Upstream product

• 129-00-0 pyrene 
• 507-20-0 tertiary butyl chloride 

Downstream Products

• 168983-40-2 N-<(4-nitrophenyl)thio>-2-t-butyl-1-aminopyrene 
• 156268-45-0 N-(Phenylthio-d5)-7-tert-butyl-1-aminopyrene 
• 156268-47-2 N-<(4-Bromophenyl-d4)thio>-7-tert-butyl-1-aminopyrene 
• 156268-49-4 N-<(4-Nitrophenyl-d4)thio>-7-tert-butyl-1-aminopyrene 
• 929099-78-5 7-tert-butyl-1-phenylpyrene 
• 929099-79-6 1-phenyl-3-bromo-7-tert-butylpyrene 
• 1416128-15-8 7-t-butyl-1-(4-chlorophenyl)pyrene 
• 1416128-16-9 1-bromo-7-t-butyl-3-(4-chlorophenyl)pyrene 
• 1421130-56-4 7-tert-butyl-1,3-diphenylpyrene 
• 1421130-57-5 7-tert-butyl-1,3-bis(4-tert-butylphenyl)pyrene 
• 1421130-58-6 7-tert-butyl-1,3-bis(4-methoxylphenyl)pyrene 
• 1421130-59-7 7-tert-butyl-1,3-bis(4-cyanophenyl)pyrene 
• 1421130-60-0 7-tert-butyl-1,3-bis(4-trifluoromethylphenyl)pyrene 
• 1421130-61-1 C₃₄H₂₆O₂ 

Relevant articles and documents

Friedel-Crafts alkylation of pyrene in carbon disulfide; 1H NMR spectroscopy of pyrene derivatives

Friedel-Crafts alkylation of pyrene with 2,5-dichloro-2,5-dimethylhexane and 2,4-dichloro-2,4-dimethylpentane in carbon disulfide yields 7,7,10,10-tetramethyl-7,8,9,10-tetrahydrobenzopyrene and 7,7,9,9-tetramethyl-8,9-dihydro-7H-cyclopentapyrene, respectively, both in 99percent yield.Alkylation with 1,4-dichlorobutane, followed by aromatization, yields benzopyrene in a facile two-step synthesis in 8percent yield.A mechanism is proposed which rationalizes the fact that only one ring of pyrene undergoes substitution.The 1H-1H NMR coupling constants of the pyrene derivatives are discussed.

Generation, Isolation, and Characterization of N-(Arylthio)-7-tert-butyl- and N-(Arylthio)-2,7-di-tert-butyl-1-pyrenylaminyl Radicals

N-(Arylthio)-7-tert-butyl-1-pyrenylaminyl (2) and N--2,7-di-tert-butyl-1-pyrenylaminyl radicals (3) are prepared by PbO2 oxidation of N-(arylthio)-7-tert-butyl-1-aminopyrenes and N--2,7-di-tert-butyl-1-aminopyrene, respectively, and studied by ESR and ENDOR spectroscopy.The kinetic ESR study shows that, while aminyls 2 gradually decompose in solution at room temperature, aminyl 3 is quite persistent, even in refluxing benzene, and shows no tendency to dimerize, even at low temperatures.These interesting properties of 3 permit us to isolate 3 as radical crystals in 28-31percent yield.The hyperfine splitting (hfs) constants of 2 and 3, determined by ESR and ENDOR spectroscopic methods, show an extensive delocalization of the unpaired electron onto the pyrene ring.Comparison of the hfs constants of 2 and 3 shows that a more extensive delocalization of the spin into the pyrene ring takes place in 3.This is accounted for in terms of the difference in the conformations of 2 and 3.