[(η(5)-C5H4CH2CH2PPh2)2TiCl2] | 83311-40-4

• 英文名称: [(η(5)-C5H4CH2CH2PPh2)2TiCl2]
• 英文别名: TiCl2(η5-C5H4(CH2)2PPh2)2
• CAS: 83311-40-4
• 化学式: C₃₈H₃₆Cl₂P₂Ti
• 分子量: 673.437
• InChiKey: BOHPEYWCIJCQSK-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
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• 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：
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• 拓扑面积：
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• 氢给体数：
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• 氢受体数：
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反应信息

• 作为反应物：
  描述：

  [(η(5)-C5H4CH2CH2PPh2)2TiCl2] 以 not given 为溶剂， 以>99的产率得到
  参考文献：
  名称：

  钛烷和锆的配位体环戊二烯基二苯基膦和环戊二烯基乙基二苯基膦的配合物：结构异双金属

  摘要：

  的Ph反应2 P（CH 2）Ñ（C 5 H ^ 4）锂，（Ñ = 0，2），具有的MC1 4或CpTiCl 3（M =钛，锆; CP =η 5 -C 5 H ^ 5）形式CL 2 M [（η 5 -C 5 H ^ 4）（CH 2）ñ PPH 2 ] 2或Cl 2的CpTI [（η 5 -C 5 H ^ 4） - （CH 2）2 PPH 2]，产量高。描述了在CO下用Al进行化学还原或这些配合物的电化学还原。钛（IV）和锆（IV）衍生物与羰基金属（Mo（CO）6，Cr（CO）6，Fe（CO）5，Mo（CO）4（C 8 H 12））反应形成新的杂双金属配合物。减少了Cl的铝2的CpTI [（η 5 -C 5 H ^ 4）（CH 2）2 PPH 2 ]的Mo（CO）5下CO结果在含有低化合价钛的新的异种。两个络合物Cl 2 M [（η5 -C 5 H 4）（CH 2）2 PPh 2 ] 2（M =

  DOI：

  10.1016/s0022-328x(00)92897-3
• 作为产物：
  描述：

  tetrachlorobis(tetrahydrofuran)titanium(IV) 、 lithium{2-(diphenylphosphanyl)ethyl}cyclopentadienide 以 四氢呋喃 为溶剂， 以50%的产率得到[(η(5)-C5H4CH2CH2PPh2)2TiCl2]
  参考文献：
  名称：

  Synthesis and structural studies of TiRu polymetallic systems

  摘要：

  The reaction of the titanocene monophosphines 1 and 2 with the dimer [(p-cymene)RuCl2](2) give the heterobimetallic compounds (p-cymene)[(eta(5)-C5H4)(mu-eta(5):eta(1)-C5H4PPh2)TiCl2]RuCl2 and (p-cymene)[(eta(5)-C5H4)(mu-eta(5):eta(1)-C5H4CH2CH2PPh2)TiCl2]RuCl2, respectively. Both structures have been confirmed by X-ray diffraction. By using same procedure, the synthesis of a trimetallic complex Ru-Ti-Ru has been achieved. (C) 2000 Elsevier Science S.A. All rights reserved.

  DOI：

  10.1016/s0022-328x(00)00219-9

文献信息

• ((Diaryl- and Dialkylphosphino)alkyl)cyclopentadienyl Ligands and Their Use in the Preparation of Heterobinuclear Ti/Mo and Zr/Mo Complexes
  作者：Todd W. Graham、Angela Llamazares、Robert McDonald、Martin Cowie

  DOI：10.1021/om990279w

  日期：1999.8.1

  by either a CH2 or a C2H4 fragment (-C5H4(CH2)nPR2; n = 1, 2; R = Me, Ph), are reported, as is that of the related ligand, Li2[Me2C(C5H3CMe2PPh2)2], in which both substituted cyclopentadienyl rings are linked by the CMe2 group. The metallocene dichloride complexes Cp‘2MCl2 (M = Ti, Zr; Cp‘2 = 2C5H4(CH2)nPPh2 (n = 1, 2), Me2C((C5H3)C(Me)2PPh2)2) have also been prepared, and the X-ray structure of (η

  一系列双官能配位体，其中一个环戊二烯基和一个膦基团通过任一一个CH联的合成2或C 2 H ^ 4片段（- c ^ 5 ħ 4（CH 2）Ñ PR 2 ; Ñ = 1,2 ； R ＝ Me，Ph），以及相关配体Li 2 [Me 2 C（C 5 H 3 CMe 2 PPh 2）2 ]的报道，其中两个取代的环戊二烯基环均通过CMe 2连接。团体。金属茂二氯化络合物CP ' 2的MC1 2（M =钛，锆; CP' 2 = 2C 5 ħ 4（CH 2）Ñ PPH 2（Ñ = 1，2）中，Me 2 C（（C 5 H ^ 3）C （ME）2 PPH 2）2）也已被制备，并且在X射线结构（η 5 -C 5 H ^ 4（CH 2）2 PPH 2）2的ZrCl 2（7）已确定。该络合物具有倾斜的膦烷基烷基臂，其在两个C 5 H 4基团上接近Eclipse，并平分了ZrCl 2角，但在远离ZrCl 2平面的相反
• Titanocene–Phosphine Derivatives as Precursors to Cytotoxic Heterometallic TiAu₂and TiM (M = Pd, Pt) Compounds. Studies of Their Interactions with DNA
  作者：Jose F. González-Pantoja、Michael Stern、Andrzej A. Jarzecki、Eva Royo、Elisa Robles-Escajeda、Armando Varela-Ramírez、Renato J. Aguilera、María Contel

  DOI：10.1021/ic201647h

  日期：2011.11.7

  spectroscopy showing a higher stability for these compounds than for Cp2TiCl2 or precursors [Tiη5-C5H4(CH2)nPPh2}2]. The new compounds display a lower acidity (1–2 units) than Cp2TiCl2. The decomposition products have been identified over time. Complexes 1–9 have been tested as potential anticancer agents, and their cytotoxicity properties were evaluated in vitro against HeLa human cervical carcinoma

  一系列三金属和双金属钛金、钛钯和钛铂衍生物，通式为 [Tiη 5 -C 5 H 4 (CH 2 ) n PPh 2 (AuCl)} 2 ]·2THF [ n = 0 ( 1 ); n = 2 ( 2 ); n＝3( 3 )]和[TiCl 2 η 5 -C 5 H 4 κ-(CH 2 ) n PPh 2 } 2 (MCl 2 )]·2THF[M＝Pd，n＝0( 4 )；n = 2 ( 5 ); n = 3 ( 6 ) ; M = Pt，n = 0 ( 7 ); n = 2 ( 8 ); n = 3 ( 9 )]已通过不同的光谱技术和质谱法进行合成和表征。通过密度泛函理论计算研究了化合物1-9的分子结构。优化结构的计算红外光谱与 1-9获得的实验红外数据非常吻合。异金属化合物在氘代溶剂[CDCl 3、二甲基亚砜(DMSO)-d 6以及50:50 DMSO- d 6 /D 2 O和1:99 DMSO-
• Tetranuclear, Early−Late Heterobimetallic Complexes Bridged by the Bifunctional Phosphinoalkylcyclopentadienyl Ligands [Ph₂P(CH₂)<i>_n</i>C₅H₄]^- (<i>n</i> = 1, 2)
  作者：Todd W. Graham、Angela Llamazares、Robert McDonald、Martin Cowie

  DOI：10.1021/om990280v

  日期：1999.8.1

  Reaction of (eta(5)-C5H4(CH2)(n)PPh2)(2)MCl2 (n = 1, M = Ti (1), Zr (2); n = 2, M = Ti(3) Zr(4)) with [RhCl(CO)(2)](2) at -80 degrees C and under conditions of high dilution yields the tetranuclear products [(mu-eta(5):eta(1)-C5H4(CH2)(n)PPh2)(2)MCl2RhCl(CO)](2) (n = 2, M = Ti (5), Zr (6); n = 1, M = Ti (7), Zr (8)). Molecular weight measurements, mass spectral data, and the X-ray structures of 5b (one isomer of 5) and of 7 confirm the tetranuclear formulations. Compounds 5b and 7 are shown to have two parallel Rh(I) square planes, in which these metals are approximately 11.88 and 9.01 Angstrom apart, respectively, each bridged by the metallodiphosphine ligands, (eta(5)-C5H4(CH2)(n)PPh2)(2)TiCl2, which are in trans positions at each Rh. The larger metallodiphosphine ligand (n = 2) gives rise to additional flexibility in compounds 5 and 6, yielding two isomers of each, which appear to differ by a twist of the titanocene dichloride moiety about the metallodiphosphine backbone. Reaction of compound 1 with (COD)PdCl2 gives the analogous Ti/Pd tetranuclear product [(mu-eta(5):eta(1)-C5H4CH2PPh2)(2)TiCl2PdCl2](2), which is assumed, on the basis of spectral similarities, to have a structure like those of 7 and 8.