273754-88-4

Basic information

• Product Name: 2,2,3,3-tetradeuterio-3-phenylpropyl p-toluenesulfonate
• Synonyms: 2,2,3,3-tetradeuterio-3-phenylpropyl p-toluenesulfonate
• CAS NO: 273754-88-4
• Molecular Weight: 294.351
• Mol File: 273754-88-4.mol
• Article Data: 2

Chemical Properties

• CAS DataBase Reference: 2,2,3,3-tetradeuterio-3-phenylpropyl p-toluenesulfonate(CAS DataBase Reference)
• NIST Chemistry Reference: 2,2,3,3-tetradeuterio-3-phenylpropyl p-toluenesulfonate(273754-88-4)
• EPA Substance Registry System: 2,2,3,3-tetradeuterio-3-phenylpropyl p-toluenesulfonate(273754-88-4)

Safety Data

• Hazardous Substances Data: 273754-88-4(Hazardous Substances Data)

Upstream product

• 2216-94-6 phenylpropynoic acid ethyl ester 
• 93131-14-7 ethyl 3-(4-fluorophenyl)propanoate-α,β-d₄ 
• 98-59-9 p-toluenesulfonyl chloride 
• 117637-87-3 2,2,3,3-tetradeuterio-3-phenyl-1-propanol 

Downstream Products

• 273754-85-1 methyl 2,2,3,3-tetradeuterio-3-phenylpropyl sulfone 
• 273754-89-5 methyl 2,2,3,3-tetradeuterio-3-phenylpropyl sulfide 

Relevant articles and documents

Ei elimination: An unprecedented facet of sulfone chemistry

Thermolysis of methyl 3-phenylpropyl sulfone in the gas phase results in formation of allylbenzene. Activation parameters of ΔH(+) = 53.5 ± 1.0 kcal/mol and ΔS(+) = -0.7 ± 1.4 cal/(mol·K) were obtained over the range of 490-550 °C. Similar measurements with a deuterated analogue show a substantial isotope effect, and a lower activation enthalpy is observed for the formation of styrene from methyl 2-phenylethyl sulfone. Along with high- quality ab initio calculations of activation parameters and kinetic isotope effects, these results indicate that this is the first reported Ei reaction of a simple sulfone.