[(η5-cyclopentadienyl)(η1-cyclopentadienyl)TiNP(t-Bu3)] | 330625-90-6

• 分子结构分类: 有机化合物 - 碳氢化合物
• 英文名称: [(η5-cyclopentadienyl)(η1-cyclopentadienyl)TiNP(t-Bu3)]
• 英文别名: cyclopenta-1,3-diene;titanium(4+);(tritert-butyl-λ5-phosphanylidene)azanide
• CAS: 330625-90-6
• 化学式: C₂₇H₄₂NPTi
• 分子量: 459.491
• InChiKey: NSMVIFQFEOHUKT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 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：
  None
• 拓扑面积：
  None
• 氢给体数：
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• 氢受体数：
  None

反应信息

• 作为产物：
  描述：

  (η5-cyclopentadienyl)Ti(NP(t-Bu)3)Cl2 、 cyclopentadienyl sodium*1,2-dimethoxyethane 以 四氢呋喃 为溶剂， 以89%的产率得到[(η5-cyclopentadienyl)(η1-cyclopentadienyl)TiNP(t-Bu3)]
  参考文献：
  名称：

  η¹- and η⁵-Indenyl and Cyclopentadienyl Tri-tert-Butylphosphoraneiminatotitanium Complexes

  摘要：

  The compounds (indenyl)Ti(NP-t-Bu-3)Cl-2 (4), Cp2Ti(NP-t-Bu-3)Cl (6), (indenyl)(2)Ti(NP-t-Bu-3)-Cl (7), Cp(indenyl)Ti(NP-t-Bu-3)Cl (8), Cp3Ti(NP-t-Bu-3) (9), (indenyl)(3)Ti(NP-t-Bu-3) (10), and Cp(indenyl)(2)Ti(NP-t-Bu-3) (11) are readily derived from reaction with (dme)NaCp or Li-(indenyl) with CpTi(NP-t-Bu-3)Cl-2 (1) or 4 in the appropriate stoichiometry. X-ray crystallograpby studies of (indenyl)Ti(NP-t-Bu-3)Me-2 (5) and 7-11 are reported. In the case of 6 and 9 two cyclopentadienyl rings are bound to the metal in a eta (5)-bonding mode, whereas in 7, 8, 10, and 11 one of the cyclopentadienyl or indenyl ligands is bound in an eta (5) mode and the remainder in an eta (1)-fashion. In the case of 10, temperature-dependent H-1 NMR spectra infer a eta (5)-eta (1) ligand exchange process with an approximate barrier of 8-9 kcal/mol. Steric crowding appears to be the major factor determining the binding modes of the cyclopentadienyl and indenyl ligands. These structural data result in a view of the phosphoraneiminato ligand as a sterically demanding, four-electron donor ligand.

  DOI：

  10.1021/om010298h