Mo(NAr)(CHCarbaz)(Me2Pyr)(OTPP) | 1449412-11-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: Mo(NAr)(CHCarbaz)(Me2Pyr)(OTPP)
• CAS: 1449412-11-6
• 化学式: C₆₁H₅₅MoN₃O
• 分子量: 942.067
• InChiKey: VTYPXQHWGJQETP-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  16.86
• 重原子数：
  66.0
• 可旋转键数：
  11.0
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  31.45
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  辛烯 、 Mo(NAr)(CHCarbaz)(Me2Pyr)(OTPP) 以 氘代苯 为溶剂， 反应 0.5h， 生成 Mo(NAr)(CHBpin)(Me2Pyr)(OTPP)
  参考文献：
  名称：

  High Oxidation State Molybdenum Imido Heteroatom-Substituted Alkylidene Complexes

  摘要：

  Reactions between Mo(NAr)(CHR)(Me(2)Pyr)(OTPP) (Ar = 2,6-i-Pr2C6H3, R = H or CHCMe2Ph, Me(2)Pyr = 2,5-dimethylpyrrolide, OTPP = O-2,3,5,6-Ph4C6H) and CH2=CHX where X = B(pin), SiMe3, N-carbazolyl, N-pyrrolidinonyl, PPh2, OPr, or SPh lead to Mo(NAr)(CHX)(Me(2)Pyr)(OTPP) complexes in good yield. All have been characterized through X-ray studies (as an acetonitrile adduct in the case of X = PPh2). The efficiencies of metathesis reactions initiated by Mo(NAr)(CHX)(Me(2)Pyr)(OTPP) complexes can be rationalized on the basis of steric factors; electronic differences imposed as a consequence of X being bound to the alkylidene carbon do not seem to play a major role. Side reactions that promote catalyst decomposition do not appear to be a serious limitation for Mo=CHX species.

  DOI：

  10.1021/om400584f
• 作为产物：
  描述：

  Mo(NiPrPh)-(CHCMe2Ph)(2,5-Me2Pyrr)(OTPP) 在 乙烯 作用下， 以 甲苯 、 正戊烷 为溶剂， 20.0 ℃ 、101.33 kPa 条件下， 反应 7.0h， 生成 Mo(NAr)(CHCarbaz)(Me2Pyr)(OTPP)
  参考文献：
  名称：

  High Oxidation State Molybdenum Imido Heteroatom-Substituted Alkylidene Complexes

  摘要：

  Reactions between Mo(NAr)(CHR)(Me(2)Pyr)(OTPP) (Ar = 2,6-i-Pr2C6H3, R = H or CHCMe2Ph, Me(2)Pyr = 2,5-dimethylpyrrolide, OTPP = O-2,3,5,6-Ph4C6H) and CH2=CHX where X = B(pin), SiMe3, N-carbazolyl, N-pyrrolidinonyl, PPh2, OPr, or SPh lead to Mo(NAr)(CHX)(Me(2)Pyr)(OTPP) complexes in good yield. All have been characterized through X-ray studies (as an acetonitrile adduct in the case of X = PPh2). The efficiencies of metathesis reactions initiated by Mo(NAr)(CHX)(Me(2)Pyr)(OTPP) complexes can be rationalized on the basis of steric factors; electronic differences imposed as a consequence of X being bound to the alkylidene carbon do not seem to play a major role. Side reactions that promote catalyst decomposition do not appear to be a serious limitation for Mo=CHX species.

  DOI：

  10.1021/om400584f