79997-91-4

Basic information

• Product Name: 5-methylene-2-phenyl-1,3-dioxan-7,7-d2
• CAS NO: 79997-91-4
• Molecular Weight: 178.199
• Mol File: 79997-91-4.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: 5-methylene-2-phenyl-1,3-dioxan-7,7-d2(CAS DataBase Reference)
• NIST Chemistry Reference: 5-methylene-2-phenyl-1,3-dioxan-7,7-d2(79997-91-4)
• EPA Substance Registry System: 5-methylene-2-phenyl-1,3-dioxan-7,7-d2(79997-91-4)

Safety Data

• Hazardous Substances Data: 79997-91-4(Hazardous Substances Data)

Upstream product

• 51430-74-1 5-amino-5-hydroxymethyl-2-phenyl-1,3-dioxane 
• 52941-82-9 2-phenyl-1,3-dioxan-5-one 
• 1787-44-6 (methyl-d3)-triphenylphosphonium bromide 

Relevant articles and documents

Secondary deuterium isotope effects on both rate and product determining steps in the thermolysis of 4-methylene-1-pyrazoline

The secondary deuterium kinetic isotope effect in the thermolysis of 4-methylene-1-pyrazoline and four of its deuterated isomers has been studied.The value of δΔG*/n is 142 cal mol-1 if it is a single C-N cleavage process or 71 cal mol-1 if it is a concerted rupture of two C-N bonds.The product distributions can only be rationalized in terms of a mechanism involving a rate determining C-N bond rupture to form a diazenyl diradical intermediate which then can close to methylenecyclopropanes by three possible modes.This requires a secondary isotope effect in the product determining step of 1.33 +/- 0.05, for the rotation of CH2 (CD2) out of the plane of the allylic radical in the intermediate.