| 1445263-70-6

• CAS: 1445263-70-6
• 化学式: C₄₀H₄₃N₅Ti
• 分子量: 641.695
• InChiKey: WIANJXUENNLRTD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
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• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为产物：
  描述：

  吡啶 、 [Ti(pentamethylcyclopentadienyl)(N(xylyl)C4H6N)(tert-butylimido)(tert-butylamine)] 、 9-芴酮腙 以 正己烷 为溶剂， 反应 2.0h， 以76%的产率得到
  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