79341-32-5

Basic information

• Product Name: Benzyl-(<1,5-13C2>-4-pentenyl)-ether
• CAS NO: 79341-32-5
• Molecular Weight: 178.236
• Mol File: 79341-32-5.mol

Chemical Properties

• CAS DataBase Reference: Benzyl-(<1,5-13C2>-4-pentenyl)-ether(CAS DataBase Reference)
• NIST Chemistry Reference: Benzyl-(<1,5-13C2>-4-pentenyl)-ether(79341-32-5)
• EPA Substance Registry System: Benzyl-(<1,5-13C2>-4-pentenyl)-ether(79341-32-5)

Safety Data

• Hazardous Substances Data: 79341-32-5(Hazardous Substances Data)

Upstream product

• 79341-34-7 Benzyl-(<1-13C>-4-pentenyl)-ether 
• 100-39-0 benzyl bromide 
• 81826-67-7 [13C]-methyltriphenylphosphonium iodide 
• 79341-33-6 4-Benzyloxy-<4-13C>butanal 

Relevant articles and documents

Degenerate Carbon Skeleton Isomerization of the Cyclopentyl Cation in the Gas Phase. Experimental and Theoretical Evidence for the Existence of a Pyramidal C5H9(+) Cation as an Intermediate in the Unimolecular Ethylene Elimination

The investigation of 13C2-labelled isotopomeric bromocyclopentanes (5a, b), cyclobutylmethyl bromide (6a) and 5-bromo-1-pentenes (7a, b) clearly demonstrates, that unimolecular ethylene loss from the gaseous + ions generated from both the cyclic and acyclic precursors is preceded by complete carbon scrambling.Whereas the degenerate isomerization 8a 8b can, in principle, proceed either via the bisected cyclobutylmethyl cation 9 or via the non-classical, pyramidal cation 3, the MINDO/3 calculations reveal, that ethylene loss from C5H9+ involves 3 as an intermediate.From 3 a transition state is reached which can be regarded as a partially opened cyclopropyl cation "solvated" by interaction with C2H4.Descriptions of the syntheses of the 13C2-labelled bromides are given.