carbanide;cyclohexyl-(N-cyclohexyl-C-methylcarbonimidoyl)azanide;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;titanium(4+) | 217202-80-7

• 分子结构分类: 有机化合物 - 有机1,3-偶极化合物
• 英文名称: carbanide;cyclohexyl-(N-cyclohexyl-C-methylcarbonimidoyl)azanide;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;titanium(4+)
• CAS: 217202-80-7
• 化学式: C₂₆H₄₆N₂Ti
• 分子量: 434.545
• InChiKey: PWCBJSFCOMSXGO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.29
• 重原子数：
  29
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.69
• 拓扑面积：
  13.4
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  carbanide,cyclopenta-1,3-diene,titanium(4+) 、 N,N'-二环己基碳二亚胺 以 正戊烷 为溶剂， 生成 carbanide;cyclohexyl-(N-cyclohexyl-C-methylcarbonimidoyl)azanide;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;titanium(4+)
  参考文献：
  名称：

  Rapid Access to Dimethylcyclopentadienyltitanium(IV) Amidinate, (C₅R₅)TiMe₂[NR¹C(R²)NR³] (R = H and Me; R² = Me), Libraries

  摘要：

  Facile insertion of carbodiimides, (RN)-N-1=C=NR3, into a Ti-C-Me bond of (C5R5)TiMe3 (R = H and Me) (2a and 2b, respectively) in pentane solutions at 25 degrees C provides a wide range of derivatives of (C5R5)TiMe2[(NRC)-C-1(Me)NR3] (1) in high yield. Low barriers to racemization (less than or equal to 15 kcal mol(-1)) have been determined for derivatives of 1 where R-1 not equal R-3, and further, a preliminary screen has found some of these to be Ziegler-Natta catalyst precursors for the polymerization of ethylene upon activation with methylaluminoxane.

  DOI：

  10.1021/om980706q