Xiao-Chun Hang, Wei-Peng Gu, Qing‐Yun Chen
2011
Citations
0
Influential Citations
10
Citations
Journal
Journal of Fluorine Chemistry
Abstract
Abstract Both experimental and computational approaches have been employed in the present work to investigate the thermal conversion of substituted difluoro(methylene)cyclopropanes (F 2 MCP) E-1,1-difluoro-2,2-dimethyl-3-tosylmethylene cyclopropane 1 , to the thermodynamically more stable F 2 MCP products, 1,1-difluoro-2-tosyl-3-(propan-2-ylidene)cyclopropane 2 , and 1-(3-(difluoromethylene)-2,2-dimethylcyclopropylsulfonyl)-4-methylbenzene 3 . The X-ray crystal structure has been obtained for both 1 and 2 , respectively, based on which theoretical analyses on their structure and stability have been carried out. Possible reaction mechanisms are proposed.