| 154861-00-4

• CAS: 154861-00-4
• 化学式: C₂₀H₃₀FTi
• 分子量: 337.337
• InChiKey: WBAJOUVEEKSNRE-UHFFFAOYSA-M

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：

  、 对苯醌 以 甲苯 为溶剂， 以64%的产率得到
  参考文献：
  名称：

  喹诺酮桥联的钛和锆双核配合物的合成与表征

  摘要：

  环戊二烯基锆（IV）和-钛（IV）的卤化物和烷基与对苯二酚反应生成桥联的双核络合物。在用苯醌处理钛（III）前体时也形成此类化合物。使用各种环戊二烯基衍生物[环戊二烯基（C 5 H ^ 5），五甲基环戊二烯（C 5我5），ethyltetramethylcyclopentadienyl（C 5我4 ET）和三甲基甲硅烷（C 5 H ^ 4森达3）]。描述了几种合成途径，导致产生产品[{Zr（C 5 H5） 2 Cl} 2（µ-OC 6 H 4 O）] 1a，[{Zr（C 5 H 5） 2 Cl} 2 {µ-O（C 6 H 3 Bu t -2）O}] 1b， [{Zr（C 5 H 5） 2 Cl} 2 {µ-O（C 6 H 2 Bu t 2 -2,5）O}] 1c，[{Zr（C 5 Me 4 Et） 2 Cl} 2（ µ-OC 6 H 4O）] 1D，[{的Ti（C 5我4 ET）氯2 } 2（μ-OC

  DOI：

  10.1039/dt9960000913
• 作为产物：
  描述：

  [(η5-pentamethylcyclopentadienyl)2TiCl] 、 三甲基氟锡烷 以 甲苯 为溶剂， 以88%的产率得到
  参考文献：
  名称：

  氟化三甲基锡：一种用于制备有机金属氟化物的新型氟化试剂。

  摘要：

  Me3SnF (1) reacts with Cp'MCl3 to give Cp'MF3 (2, Cp' = C5Me5, M = Ti; 2a, Cp' = C5Me4Et, M = Ti; 2b, Cp' = C5H5, M = Ti; 2c, Cp' = C5H4Me5, M = Ti; 3, Cp' = C5Me5, M = Zr; 4, Cp' = C5Me5, M = Hf) in high yields. The reaction of Cp2TiCl2, [C5H3(Me)(SiMe3)]2ZrCl2, and (C5Me5)2HfCl2 with Me3SnF yields Cp2TiF2 (5), [C5H3(Me) (SiMe3)]2ZrF2 (6), and (CsMe5)2HfF2 (7), respectively. Treatment of (Cp*TiClO)3 (Cp* = C5Me5) with Me3SnF leads to the eight-membered ring (Cp*TiFO)4 (8). The reaction of the organotitanium(III) chlorides (Cp2TiCl)2 (Cp = C5H5), [(C5H4Me)2TiCl]2, and Cp*2TiCl with Me3SnF gives the corresponding fluorides (Cp2TiF)2 (9), [(C5H4Me)2TiF]2 (10), and Cp2*TiF (11), respectively. An alternative method for the preparation of compounds 9 and 10 is the reduction of Cp2TiF2 and (C5H4Me)2TiF2, respectively, using sodium amalgam. The structures of 2c, 3, 4, and 10 were determined by single-crystal X-ray diffraction. Compounds 3 and 4 are isostructural and form tetramers in the solid as well as in solution. 10 is a fluorine-bridged dimer in the crystalline state.

  DOI：

  10.1021/om00016a030

文献信息

• A π-Donor Spectrochemical Series for X in (Me₅C₅)₂TiX, and β-Agostic Interactions in X = Et and N(Me)Ph
  作者：Wayne W. Lukens、Milton R. Smith、Richard A. Andersen

  DOI：10.1021/ja953272o

  日期：1996.1.1

  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.