(η5-pentamethylcyclopentadienyl)2TiOMe

• 分子结构分类: 有机化合物 - 碳氢化合物 - 不饱和烃
• 英文名称: (η5-pentamethylcyclopentadienyl)2TiOMe
• 英文别名: [Ti(III)(η5-C5Me5)2(OMe)]；[(η5-C5Me5)2Ti(III)OMe]；Cp*2TiOMe
• 化学式: C₂₁H₃₃OTi
• 分子量: 349.372
• InChiKey: AUMSYHBGVYLNID-UHFFFAOYSA-N

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：

  (η5-pentamethylcyclopentadienyl)2TiOMe 、 高纯二甲基镉 以 乙醚 为溶剂， 以55%的产率得到
  参考文献：
  名称：

  Oxidative alkylation of (η5-C5Me5)2TiR (R = Cl, Me, Et, CHCH2, Ph, OMe, NC(H)tBu) to (η5-C5Me5)2Ti(Me)R by group 12 organometallic compounds MMe2

  摘要：

  Oxidative alkylation of Cp*2TiX (Cp*: eta-5-C5Me5; X = OMe, Cl, N = C(H)tBu) and Cp*2TiMe by CdMe2 or ZnMe2 gives diamagnetic Cp*2Ti(Me)X and Cp*2TiMe2 respectively, and cadmium or zinc. The reactions of Cp*2TiR (R = Et, CH = CH2, Ph) with MMe2 (M = Cd, Zn) give statistical mixtures of Cp*2Ti(Me)R, Cp*2TiMe2 and Cp*2TiR2. Dimethylmercury does not react with Cp*2TiX.

  DOI：

  10.1016/0022-328x(91)86461-x
• 作为产物：
  描述：

  [(η5-pentamethylcyclopentadienyl)2TiCl] 、 lithium methanolate 以 四氢呋喃 为溶剂， 以67%的产率得到(η5-pentamethylcyclopentadienyl)2TiOMe
  参考文献：
  名称：

  A π-Donor Spectrochemical Series for X in (Me₅C₅)₂TiX, and β-Agostic Interactions in X = Et and N(Me)Ph

  摘要：

  The EPR and electronic spectra of d(1)-bent metallocene compounds of the type Cp*(2)TiX, where X is halide, alkoxide, amide, alkyl, or hydride and Cp* = Me(5)C(5), have been studied. Several of these compounds are new, and those with X = N(Me)H and F were characterized by X-ray crystallography. The crystal structure of Cp*2TiN(Me)H showed that the N(Me)H ligand lies on the plane defined by Cp*(centroid)-Ti-Cp*(centroid). This is the sterically most unfavorable conformation but allows maximum Ti-N pi-bonding. The anisotropic frozen solution EPR spectra were analyzed by the method used by Petersen and Dahl for the d(1)-metallocenes, Cp(2)VX(2), which gives g(x), g(y), and g(z). Although the values of g(x) and g(z) are relatively constant throughout the series, the value of g(y) varies with the pi-donor ability of X. The pi-donor series is N(Me)H approximate to NH2 approximate to OMe > OPh approximate to F > N(Me)Ph Cl > Br > I > H. Among the known alkyls, the pi-donor ability was Et > Me > n-Pr approximate to CH(2)CMe(3) > CH2C6H5, which is rationalized, in part, by a beta-agostic interaction in the case of Et. The beta-agostic interaction in Cp*(2)TiEt and in Cp*2TiN(Me)Ph was investigated by variable-temperature EPR spectroscopy giving an enthalpy and entropy for the agostic interaction. For Cp*(2)TiEt the parameters for the agostic interaction are Delta H degrees = -1.93(3) kcal/mol and Delta S degrees = -6.3(2) eu, and for Cp*2TiN(Me)Ph, Delta H degrees = -1.5(1) kcal/mol and Delta S degrees = -7.9(5) eu.

  DOI：

  10.1021/ja953272o

文献信息

• The effect of titanium alkoxides in the synthesis of heterobimetallic complexes by titanocene(III) alkoxide-induced metal–metal bond cleavage of metal carbonyl dimers
  作者：Shota Niibayashi、Kaoru Mitsui、Yukihiro Motoyama、Hideo Nagashima

  DOI：10.1016/j.jorganchem.2004.09.075

  日期：2005.1

  A series of titanocene(III) alkoxides L2Ti(III)OR where L = Cp, R = Et(1b), tBu(1a), 2,6-Me2C6H3(1c), 2,6-tBu2-4-Me–C6H2(1d), or L = Cp*, R = Me(2e), tBu(2a), Ph(2f) was synthesized and subjected to reaction with [CpM(CO)3]2 [M = Mo, W], [CpRu(CO)2]2, and Co2(CO)8. The Ti(III) precursors 1a, 1c, 2a, 2e, and 2f reacted with [CpM(CO)3]2 [M = Mo, W] to form heterobimetallic complexes L2Ti(OR)(μ-OC)(CO)2MCp

  一系列钛茂（III）醇盐L 2 Ti（III）OR其中L = CP，R = Et（1b），t Bu（1a），2,6-Me 2 C 6 H 3（1c），2,6 -吨卜2 -4-ME-C 6 H ^ 2（1D），或L =的CP *，R =我（2E），吨BU（图2a）中，Ph（2F）合成，并进行与[CPM反应（ CO）3 ] 2 [M = Mo，W]，[CPRu（CO）2 ] 2和Co 2（CO）8。Ti（III）前体1a，1c，2a，2e和2f与[CPM（CO）3 ] 2 [M = Mo，W]反应形成异双金属配合物L 2 Ti（OR）（μ-OC）（CO ）2 MCa href=https://www.molaid.com/MS_6449 target="_blank">CP [M = Mo，W]，其中Ti和M通过异羰基桥连接。用Co这些钛（III）络合物的反应2（CO）8导致形成的Ti-Co的1双核配合物，CP2为非*的Ti（OtBu）（μ-OC）的Co（CO）3从图2a，2e中，或2F，或Ti–Co
• Luinstra, Gerrit A.; Teuben, Jan H., Recueil des Travaux Chimiques des Pays-Bas, 1991, vol. 110, # 2, p. 57 - 58
  作者：Luinstra, Gerrit A.、Teuben, Jan H.

  DOI：——

  日期：——