118018-20-5

Basic information

• Product Name: cis-<2,3,3,3-D4>-β-Methylstyrol
• Synonyms: cis-<2,3,3,3-D4>-β-Methylstyrol
• CAS NO: 118018-20-5
• Molecular Weight: 122.147
• Mol File: 118018-20-5.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: cis-<2,3,3,3-D4>-β-Methylstyrol(CAS DataBase Reference)
• NIST Chemistry Reference: cis-<2,3,3,3-D4>-β-Methylstyrol(118018-20-5)
• EPA Substance Registry System: cis-<2,3,3,3-D4>-β-Methylstyrol(118018-20-5)

Safety Data

• Hazardous Substances Data: 118018-20-5(Hazardous Substances Data)

Upstream product

• 118018-22-7 <2,2,3,3-D4>Phenylcyclopropan 

Relevant articles and documents

Gas-Phase Pyrolysis of Phenylcyclopropane

The gas-phase pyrolysis of phenylcyclopropane (5) has been ivestigated in a quartz tubular reactor between 560 and 680 deg C and a contact time of about 1 s.Main reaction is the thermal isomerization to allylbenzene (4) as well as to cis-(1b) and trans--β-methylstyrene (3b).Besides 1, 3, and 4, indene (8) is formed, which is characterized by a statistical distribution of the H atom over the three positions of the five-membered ring.To distinguish between the two possible mechanisms of the isomerization (opening of the cyclopropane ring C-C bond dissociation/ 1,3-diyl formation and 1,2-C,H retro-insertion/ethylcarbene formation), the D distribution in 1 and 3 was carefully determined by 1H-NMR spectroscopy.The results show that the isomerization is initiated by generation of a 1,3-diradical. - Keywords: Isotopic labeling/ Isomerization/ Phenylcyclopropane/ Pyrolysis