[Ti(pentamethylcyclopentadienyl)(N(xylyl)C4H6N)(diphenylhydrazinediido)] | 1160299-07-9

• 英文名称: [Ti(pentamethylcyclopentadienyl)(N(xylyl)C4H6N)(diphenylhydrazinediido)]
• CAS: 1160299-07-9
• 化学式: C₃₄H₄₀N₄Ti
• 分子量: 552.598
• InChiKey: NPHKWWFOIVWFTN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
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• 重原子数：
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• 可旋转键数：
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• 环数：
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• sp3杂化的碳原子比例：
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• 拓扑面积：
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• 氢给体数：
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• 氢受体数：
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反应信息

• 作为反应物：
  描述：

  [Ti(pentamethylcyclopentadienyl)(N(xylyl)C4H6N)(diphenylhydrazinediido)] 、 N,N'-二异丙基碳二亚胺 以 氘代苯 为溶剂， 生成
  参考文献：
  名称：

  Titanium-Catalyzed Hydrohydrazination of Carbodiimides

  摘要：

  Hydrazinediido complexes of the type [Cp*Ti-(NxylN)(NNR2)(L)] (R = Ph, Me; Ar, fluorene, L = (BuNH2)-Bu-t, Py; 3a-e) have been synthesized and used as catalysts for the hydrohydrazination of a series of carbodiimides, yielding aminoguanidines or fluoreneiminoguanidines. The highest yields were obtained for diarylhydrazines and fluorenone 5 hydrazone at temperatures between 80 and 105 degrees C. Stoichiometric reactions of hydraz inediido complexes with (PrNCNPr)-Pr-i-Pr-i led to an equilibrium with the resulting [2 + 2] cydoadducts 4a-f, which were characterized by H-1, C-13, and N-15 NMR spectroscopy as well as X-ray diffraction. The proposed mechanism, which is closely related to that previously established for the hydrohydrazination of alkynes and allenes, was found to be consistent with the results of a kinetic study. The dynamic structures of aminoguanidines and fluoreneiminoguanidines were characterized by NMR spectroscopy, and the minimum configurations were foud to be stabilized by intramolecular hydrogen bonding.

  DOI：

  10.1021/om400323p
• 作为产物：
  描述：

  [Ti(pentamethylcyclopentadienyl)(N(xylyl)C4H6N)(diphenylhydrazinediido)(tert-butylamine)] 在 B(C₆F₅)3 作用下， 以 正己烷 为溶剂， 以49%的产率得到[Ti(pentamethylcyclopentadienyl)(N(xylyl)C4H6N)(diphenylhydrazinediido)]
  参考文献：
  名称：

  肼二钛钛半三明治复合物：高活性催化剂，用于在环境温度下末端炔烃的氢酰化反应

  摘要：

  [Cp * Ti（N Xyl N）（N t Bu）（NH 2 t Bu）]与1摩尔当量的二苯肼反应生成肼二基配合物[Cp * Ti（N Xyl N）（NNPh 2）（NH 2 t Bu）]（1a），而橙色吡啶加合物[Cp * Ti（N Xyl N）（NNPh 2）（py）]（1b）是通过使酰亚胺[Cp * Ti（N Xyl N）（N t在吡啶的存在下，用二苯肼（Bu）（NH 2 t Bu）]。的叔丁基胺配位到金属中心1A通过在60℃和10 -6毫巴下加热固体72小时，可以除去[Cp * Ti（N Xyl N）（NNPh 2）]（1c）。在吡啶或4-二甲基氨基吡啶（dmap）作为中性共配体存在下，肼二基配合物[Cp * Ti（N Xyl N）（NNMePh）（py）]（2a）和[Cp * Ti（N Xyl N）制备了NNMePh）（dmap）]（2b）以及[Cp * Ti（N Xyl N）（NNMe

  DOI：

  10.1021/om900155t