1-ethyl-2,3,4,5-tetramethylcyclopenta-1,3-diene;trifluorotitanium(1+) | 154860-94-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 金属杂环化合物
• 英文名称: 1-ethyl-2,3,4,5-tetramethylcyclopenta-1,3-diene;trifluorotitanium(1+)
• CAS: 154860-94-3
• 化学式: C₁₁H₁₇F₃Ti
• 分子量: 254.131
• InChiKey: MXEOODNNJMOFAB-UHFFFAOYSA-K

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 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：

  1-ethyl-2,3,4,5-tetramethylcyclopenta-1,3-diene;trifluorotitanium(1+) 、 ditert-butyl-bis(trimethylstannyloxy)silane 以 四氢呋喃 为溶剂， 生成
  参考文献：
  名称：

  含无环和环状硅氧烷结构单元的三联体（Ti，Zr，Hf）的环戊二烯基氟和氯配合物的合成和结构

  摘要：

  已经合成了环状和非环状的单环戊二烯基氟和氯钛硅氧烷。氟络合物是环状的，而当使用庞大的环戊二烯基配体时，无环氯衍生物是可及的。还已经制备了钛，锆和ha的无环双（环戊二烯基）氟和氯硅氧烷。两个环状钛衍生物[{（C 5 Me 4 Et）FTiOSiBu t 2 O} 2 ] [三斜晶系，空间群P，a = 9.644（3），b = 11.397（3），c = 11.822（3 ）的晶体结构）Å，α= 116.702（10），β= 104.507（12），γ= 98.906（8）°，Z = 1]和[{（C 5 H 4Me）FTiOSiBu t 2 O} 2 ] [单斜，空间群C 2 / c，a = 29.75（2），b = 13.152（8），c = 22.332（11）Å，β= 124.88（3）°，Z = 8]已确定。

  DOI：

  10.1039/dt9950002453
• 作为产物：
  描述：

  (η-5-ethyltetramethylcyclopentadienyl)titanium trichloride 、 三甲基氟锡烷 以 甲苯 为溶剂， 以92%的产率得到1-ethyl-2,3,4,5-tetramethylcyclopenta-1,3-diene;trifluorotitanium(1+)
  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

• Synthesis and the crystal structures of a monoanionic tetrafluorodentate ligand and its complex with lanthanum ion
  作者：Franc Perdih、Alojz Demšar、Andrej Pevec、Saša Petriček、Ivan Leban、Gerald Giester、Joachim Sieler、Herbert W Roesky

  DOI：10.1016/s0277-5387(01)00789-6

  日期：2001.6

  New organotitanium fluorides [Hdmpy](+)[(C5Me4R)(2)Ti2F7](-) (R = Me 4, Et 5, dmpy = 2,6-dimethylpyridine, lutidine) have been prepared from (C5Me4R)TiF3 and 2,6-dimethyIpyridine . (HF)(2). The compounds 4 and 5 react with La(CF3SO3)(3) to give [La(C5Me4R)(2)Ti2F7}(3)] (R = Me 6, Et 7) containing the [(C5Me4R)(2)Ti2F7](-) anion as a tetrafluorodentate ligand in the crystal structures of 4 and 7. The cation-anion pair is connected by a hydrogen bond in 4 and the all-fluorine environment of 12 fluorine atoms coordinated to a lanthanum ion is found in 7. (C) 2001 Elsevier Science Ltd. All rights reserved.
• Synthesis, spectroscopic and X-ray characterization of new molecular organotitanium(IV) phosphonate
  作者：Andrej Pevec、Alojz Demšar、Jiri Pinkas、Marek Necas

  DOI：10.1016/j.inoche.2007.10.002

  日期：2008.1

  Dititanate [Ti(C5Me4Et)(mu-O2P(OH)Me)(mu-O2P(O)Me)}(2)] (1) was prepared from (C5Me4Et)TiF3 and MeP(O)(OSiMe3)(2). The molecular structure of compound I has been determined by single-crystal X-ray diffraction analysis. In the cage cluster, two titanium atoms are bridged by two bidentate monoanionic and by two bidentate dianionic phosphonate groups. The OH group of the monoanionic phosphonate and oxygen atom of the dianionic phosphonate are connected by strong intramolecular hydrogen bond. The NMR spectroscopy reveals the fast proton migration within the hydrogen bond. (c) 2007 Elsevier B.V. All rights reserved.
• Pevec, Andrej; Demsar, Alojz; Gramlich, Volker, Journal of the Chemical Society, Dalton Transactions, 1997, # 13, p. 2215 - 2216
  作者：Pevec, Andrej、Demsar, Alojz、Gramlich, Volker、Petricek, Sasa、Roesky, Herbert W.

  DOI：——

  日期：——