| 198978-82-4

• CAS: 198978-82-4
• 化学式: C₁₈H₁₅BrMoN₂O₃
• 分子量: 483.173
• InChiKey: AFRLXQJDAIPJDA-UHFFFAOYSA-M

反应信息

• 作为产物：
  描述：

  2,2'-联吡啶 、 4-bromo-2-cyclohexen-1-one 、 molybdenum hexacarbonyl 以 四氯化碳 、 二氯甲烷 、 乙腈 为溶剂， 以81%的产率得到
  参考文献：
  名称：

  Structure, bonding, and reactivity of molybdenum η3-cyclohexenone complexes in comparison with their cyclopentenone analogues: η3-allyl/η4-diene conversion ‡

  摘要：

  The neutral η3-cyclohexenone complexes [Mo(η3-C6H7O)(CO)2(MeCN)2Br] 1, [Mo(η3-C6H7O)(CO)2{HB(pz)3}] 2, [Mo(η3-C6H7O)(CO)2(bipy)Br] 3 (bipy =  2,2′-bipyridine) and [Mo(η3-C6H7O)(CO)2(dppm)Br] 4 (dppm = Ph2PCH2PPh2) have been synthesized. The structure of 2 has been determined by X-ray crystallography. All these complexes resist hydride abstraction using Ph3C+PF6–, in sharp contrast to the η3-cyclopentenone analogues where η3-allyl/η4-diene conversion is a facile process. A rationale for this different behaviour is provided by extended-Hückel calculations combined with a Walsh analysis of hydrogen abstraction. Thus, while in the η3-C5H5O → η4-C5H4O conversion a Möbius system is formed upon release of hydride via electrophilic attack, this is not possible in the hypothetical η3-C6H7O → η4-C6H6O process. Therefore, η3-C6H7O is a C–H acid. Also, the occurrence of different conformations, exo for allyl and endo for diene complexes, is rationalized.

  DOI：

  10.1039/a703633g