617713-38-9

Basic information

• Product Name: C₈H₈⁽²⁾HFO
• Synonyms: C₈H₈⁽²⁾HFO
• CAS NO: 617713-38-9
• Molecular Weight: 141.149
• Mol File: 617713-38-9.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: C₈H₈⁽²⁾HFO(CAS DataBase Reference)
• NIST Chemistry Reference: C₈H₈⁽²⁾HFO(617713-38-9)
• EPA Substance Registry System: C₈H₈⁽²⁾HFO(617713-38-9)

Safety Data

• Hazardous Substances Data: 617713-38-9(Hazardous Substances Data)

Upstream product

• 403-42-9 1-(4-fluorophenyl)ethanone 
• 403-41-8 1-(4-Fluorophenyl)ethanol 

Downstream Products

• 403-42-9 1-(4-fluorophenyl)ethanone 

Relevant articles and documents

Mechanism of ruthenium-catalyzed hydrogen transfer reactions. Concerted transfer of OH and CH hydrogens from an alcohol to a (cyclopentadienone) ruthenium complex

Kinetic studies of the ruthenium-catalyzed dehydrogenation of 1-(4-fluorophenyl)ethanol (4) by tetrafluorobenzoquinone (7) using the Shvo catalyst 1 at 70 °C show that the dehydrogenation by catalytic intermediate 2 is rate-determining with the rate = k [4][1]1/2 and with ΔH? = 17.7 kcal mol-1 and ΔS? = -13.0 eu. The use of specifically deuterated derivative 4-CHOD and 4-CDOH gave individual isotope effects of kCHOH/kCHOD = 1.87 ± 0.17 and kCHOH/kCDOH = 2.57 ± 0.26, respectively. Dideuterated derivative 4-CDOD gave a combined isotope effect of k CHOH/kCDOD = 4.61 ± 0.37. These isotope effects are consistent with a concerted transfer of both hydrogens of the alcohol to ruthenium species 2.