trichloro(η(5)-n-propyltetramethylcyclopentadienyl)zirconium(IV) | 192374-87-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: trichloro(η(5)-n-propyltetramethylcyclopentadienyl)zirconium(IV)
• 英文别名: 1,2,3,5-Tetramethyl-4-propylcyclopenta-1,3-diene;zirconium(4+);trichloride
• CAS: 192374-87-1
• 化学式: C₁₂H₁₉Cl₃Zr
• 分子量: 360.866
• InChiKey: HXWHMJPXFZKUGT-UHFFFAOYSA-K

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：
  None
• 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

• 作为反应物：
  描述：

  trichloro(η(5)-n-propyltetramethylcyclopentadienyl)zirconium(IV) 、 三甲基氟锡烷 以 甲苯 为溶剂， 以74%的产率得到trifluoro(η(5)-n-propyltetramethylcyclopentadienyl)zirconium(IV)
  参考文献：
  名称：

  Synthesis and characterisation of trifluoro(η5-n-propyltetramethylcyclopentadienyl) metal(IV)-compounds of the elements of group IV

  摘要：

  A series of trifluoro metal complexes of titanium, zirconium and hafnium containing the n-propyltetramethylcyclopentadienyl ligand (C(5)Me(4)nPr) have been synthesised by metathesis reactions of the trichloro analogue using three equivalents of Me3SnF. X-ray analysis of (C(5)Me(4)nPr)TiF3 1 confirms the presence of two (C(5)Me(4)nPr)TiF3 moieties with two fluorine atoms bridging the metal atoms resulting in a centre of symmetry. The starting materials (C(5)Me(4)nPr)MCl3 (M=Zr, Hf) were prepared by reaction of (C(5)Me(4)nPr)Li with MCl4 (M=Zr, Hf). (C) 1997 Published by Elsevier Science S.A.

  DOI：

  10.1016/s0022-328x(96)06669-7
• 作为产物：
  描述：

  LiC5Me4CH2CH2CH3 、 氯化锆(IV) 以 甲苯 为溶剂， 以79%的产率得到trichloro(η(5)-n-propyltetramethylcyclopentadienyl)zirconium(IV)
  参考文献：
  名称：

  Synthesis and characterisation of trifluoro(η5-n-propyltetramethylcyclopentadienyl) metal(IV)-compounds of the elements of group IV

  摘要：

  A series of trifluoro metal complexes of titanium, zirconium and hafnium containing the n-propyltetramethylcyclopentadienyl ligand (C(5)Me(4)nPr) have been synthesised by metathesis reactions of the trichloro analogue using three equivalents of Me3SnF. X-ray analysis of (C(5)Me(4)nPr)TiF3 1 confirms the presence of two (C(5)Me(4)nPr)TiF3 moieties with two fluorine atoms bridging the metal atoms resulting in a centre of symmetry. The starting materials (C(5)Me(4)nPr)MCl3 (M=Zr, Hf) were prepared by reaction of (C(5)Me(4)nPr)Li with MCl4 (M=Zr, Hf). (C) 1997 Published by Elsevier Science S.A.

  DOI：

  10.1016/s0022-328x(96)06669-7