1,1-bis(tetramethylphospholyl)dichlorozirconium | 112549-05-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 杂芳族化合物
• 英文名称: 1,1-bis(tetramethylphospholyl)dichlorozirconium
• 英文别名: bis(η(5)-tetramethylphospholyl)dichlorozirconium；bis(η5-2,3,4,5-tetramethylphospholyl)dichlorozirconium；2,3,4,5-Tetramethyl-1-phosphanidacyclopenta-2,4-diene;zirconium(4+);dichloride；2,3,4,5-tetramethyl-1-phosphanidacyclopenta-2,4-diene;zirconium(4+);dichloride
• CAS: 112549-05-0
• 化学式: C₁₆H₂₄Cl₂P₂Zr
• 分子量: 440.444
• InChiKey: QWGUJKWQCXUZKX-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  0.44
• 重原子数：
  21
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-丁炔 、 1,1-bis(tetramethylphospholyl)dichlorozirconium 在 Mg 作用下， 以 四氢呋喃 为溶剂， 以80%的产率得到1,1-bis(tetramethylphospholyl)-2,3,4,5-tetramethylzirconacyclopenta-2,4-diene
  参考文献：
  名称：

  Generation and Trapping of a 1,1‘-Diphosphazirconocene

  摘要：

  The reduction of [(eta(5)-C4Me4P)(2)ZrCl2] (1) by magnesium in THF affords a transient octamethyl-1,1'-diphosphazirconocene which can be trapped by CO, bis(trimethylsilyl)acetylene, and 2-butyne to give the corresponding dicarbonyl 2, zirconacyclopropene 3, and zirconacyclopentadiene 4; all of these products have been characterized by X-ray analyses. An assessment of the,pi-basicity of the eta(5)-C4Me4P ligand has been made by several methods: (a) a comparison of the IR carbonyl stretching frequencies of 2 and of other dicarbonylzirconocene complexes, (b) a correlation of the C-13 NMR and IR data in 3 and in similar zirconacyclopropenes, and (c) an electrochemical study on 1. All these experiments confirm that the eta(5)-C4Me4P ligand is a poorer pi-base than the Cp ligand.

  DOI：

  10.1021/om010634u
• 作为产物：
  描述：

  (2,3,4,5-tetramethylphospholyl)bis(dimethylamido)zirconium chloride 在 trimethyl phosphorous borane 作用下， 以 氘代苯 为溶剂， 反应 14.0h， 生成 1,1-bis(tetramethylphospholyl)dichlorozirconium
  参考文献：
  名称：

  单硼烷苯和-磷酰基锆茂（IV）衍生物：迈向混合杂环锆茂复合物

  摘要：

  摘要为了扩展对锆的磷酰和硼酸苯络合物的化学反应的认识，已显示出潜在的聚合催化剂的作用，本研究旨在探索单硼酸苯和单磷酰锆络合物的合成，并研究它们对锆的反应性。混合形成（硼酸苯）（磷酰基）锆配合物。合成了（η5-磷酰基）Zr（NMe2）xCl3-x和（η6-硼根苯-NMe2）Zr（NMe2）xCl3-x的几种衍生物，并用作形成混合的（硼烷基苯）（磷酰基）锆络合物的前体。

  DOI：

  10.1016/j.poly.2015.07.037

文献信息

• Synthesis of Phospholyl-Bridged Heterobimetallic Ruthenium Hydrides in Combination with Zirconium and Ytterbium and the Crystal Structure of (THF)₂Yb[μ(η⁵,η¹)-C₄Me₄P]₂Ru(H)₂(Ph₃P)₂
  作者：P. Desmurs、M. Visseaux、D. Baudry、A. Dormond、F. Nief、L. Ricard

  DOI：10.1021/om9602320

  日期：1996.10.1

  Heterobimetallic zirconium-ruthenium and ytterbium-ruthenium dihydrides, having bridging phospholyl ligands, have been obtained for the first time. Reaction of bin(eta(5)-tetramethylphospholyl)dichlorozirconium [(TMP)(2)ZrCl2] with RuH4(PPh(3))(3) gave the zirconium-ruthenium heterobimetallic Cl2Zr[mu(eta(5),eta(1))-TMP]Ru-2(H)(2)(PPh(3))(2). This compound was transformed into the hydridochloride Cl2Zr[mu(eta(5),eta(1))-TMP]Ru-2(H)(Cl)(PPh(3))(2) by the action of CCl4. Similarly, reaction of [(TMP)(2)Yb] with RuH4(PPh(3))(3) afforded (THF)(2)Yb[mu(eta(5),eta(1))-TMP]Ru-2(H)(2)(PPh(3))(2). The structure of this compound, which has been determined by X-ray crystallography, confirms the trans configuration of the dihydride deduced previously from NMR data. Attempts to isolate products from the reaction of [(TMP)(2)UCl2] or [(TMP)(2)U(BH4)(2)] with RuH4(PPh(3))(3) were unsuccessful, but NMR data show the formation of both heterobimetallic trans- and cis-ruthenium dihydride-uranium compounds X(2)U[mu(eta(5),eta(1))-TMP]Ru-2(H)(2)(PPh(3))(2) (X = BH4, Cl) in solution.
• Reactivity of a diphosphazirconocene dichloride, (η5-C4Me4P)2ZrCl2. Crystal and molecular structure of a metal-bridged bis(π-heterocyclopentadienyl)zirconium complex, (CO)3Fe(μ-η5,η1-C4Me4P)2ZrCl2
  作者：François Nief、François Mathey、Louis Ricard

  DOI：10.1016/0022-328x(90)87120-3

  日期：1990.3
• Nief, François; Mathey, François; Ricard, Louis, Organometallics, 1988, vol. 7, # 4, p. 921 - 926
  作者：Nief, François、Mathey, François、Ricard, Louis、Robert, Francis

  DOI：——

  日期：——