97073-41-1

Basic information

• Product Name: Benzene, [(1-chloro-2,2,3,3-tetramethylcyclopropyl)methyl]-
• CAS NO: 97073-41-1
• Molecular Formula: C14H19Cl
• Molecular Weight: 222.758
• Mol File: 97073-41-1.mol
• Article Data: 9

Chemical Properties

• CAS DataBase Reference: Benzene, [(1-chloro-2,2,3,3-tetramethylcyclopropyl)methyl]-(CAS DataBase Reference)
• NIST Chemistry Reference: Benzene, [(1-chloro-2,2,3,3-tetramethylcyclopropyl)methyl]-(97073-41-1)
• EPA Substance Registry System: Benzene, [(1-chloro-2,2,3,3-tetramethylcyclopropyl)methyl]-(97073-41-1)

Safety Data

• Hazardous Substances Data: 97073-41-1(Hazardous Substances Data)

Upstream product

• 88211-05-6 3-benzyl-3-chloro-3H-diazirine 
• 563-79-1 2,3-Dimethyl-2-butene 
• 88211-07-8 Benzylchlorocarbene 
• 592-41-6 1-hexene 

Relevant articles and documents

Studies on Benzylchlorocarbene

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Modulation of carbenic reactivity by α-complexation to aromatics [10]

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Benzylchlorocarbene: Kinetics parameters for 1,2-H migration, UV absorption spectrum, and mechanism for addition to alkenes

Laser flash photolysis (LFP) of 3-benzyl-3-chlorodiazirine, 1, in isooctane, produces benzylchlorocarbene which reacts with pyridine to form an ylide or undergoes 1,2-H migration to form the (Z)- and (E)-β-chlorostyrenes. The rate for the 1,2-H migration is determined by plotting the pseudo-first-order rate constants for the growth of the ylide vs [pyridine] and extrapolating to [pyridine] = 0. From such measurements, performed at various temperatures, the kinetic parameters Ei = 4.5 kcal/mol and Ai = 1011.1 s-1 are obtained, LFP of 1 in the absence of pyridine produces a transient absorption (280-330 nm) assigned to benzylchlorocarbene. Monitoring the carbene decay directly at 310 nm over the same temperature range gives similar values: Ei = 4.8 kcal/mol and Ai = 1011.3 s-1. Three independent methods-LFP, products ratios (Z/E and cyclopropane/chlorostyrenes) - yield a single value, (6.2 ±0.2) 108 M-1 s-1 for kt, the rate constant for the addition of benzylchlorocarbene to tetramethylethylene. These results are consistent with a mechanism involving the formation of a complex between benzylchlorocarbene and tetramethylethylene.