455-10-7

Basic information

• Product Name: 1-(2-chloropropan-2-yl)-4-fluorobenzene
• Synonyms: 1-(2-chloropropan-2-yl)-4-fluorobenzene
• CAS NO: 455-10-7
• Molecular Weight: 172.63
• Mol File: 455-10-7.mol
• Article Data: 3

Chemical Properties

• CAS DataBase Reference: 1-(2-chloropropan-2-yl)-4-fluorobenzene(CAS DataBase Reference)
• NIST Chemistry Reference: 1-(2-chloropropan-2-yl)-4-fluorobenzene(455-10-7)
• EPA Substance Registry System: 1-(2-chloropropan-2-yl)-4-fluorobenzene(455-10-7)

Safety Data

• Hazardous Substances Data: 455-10-7(Hazardous Substances Data)

Upstream product

• 460-00-4 1-Bromo-4-fluorobenzene 
• 402-41-5 4-fluorocumyl alcohol 

Downstream Products

• 25807-60-7 1-(4'-Fluorphenyl)-1-methylethyl-kation 

Relevant articles and documents

NOVEL THYROMIMETICS

Compounds are provided having the structure of Formula (I): or a pharmaceutically acceptable isomer, racemate, hydrate, solvate, isotope, or salt thereof, wherein A, X1, X2, Q, R1, R2 and n are as defined herein. Such compounds function as thyromimetics and have utility for treating diseases such as neurodegenerative disorders and fibrotic diseases. Pharmaceutical compositions containing such compounds are also provided, as are methods of their use and preparation.

Conformational Dependence of Isotope Effects for Hyperconjugating Methyl Groups. Nonadditivity of NMR Isotope Shifts in Benzylic Ions

Deuterium substitution in the methyl groups induces long-range downfield shifts in 13C NMR signals of the ortho and para positions of the phenyldimethylcarbenium ion.Similar downfield isotope shifts occur in 19F signals of (p-fluorophenyl)carbenium ions upon deuteration of α-methyl groups.These NMR isotope shifts are analogous to secondary β-deuterium isotope effects on rates and equilibria and arise from hyperconjugative interactions.The effects of substituting entire CD3 groups for CH3 groups are additive, but the effects of deuterium substitution within a methyl group are not additive.The nonadditive behavior is attributed to unequal populations of the possible methyl conformation for partially deuterated methyl groups, so that each C-H(D) bond is not equally involved in hyperconjugation.This interpretation is supported by the observation of an isotope effect on the vicinal 1H-19F coupling constant in the phenylmethylfluorocarbenium ion, PhCFCH3+.