Titanium, tris(acetonitrile)trichloro- | 27183-96-6

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: Titanium, tris(acetonitrile)trichloro-
• 英文别名: TiCl3(acetonitrile)3
• CAS: 27183-96-6；18039-89-9；37580-88-4
• 化学式: C₆H₉Cl₃N₃Ti
• 分子量: 277.397
• InChiKey: WKMGBGYLAZVSDJ-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：
  None

反应信息

• 作为反应物：
  描述：

  Titanium, tris(acetonitrile)trichloro- 、 二丙酮腙 以 neat (no solvent) 为溶剂， 以67%的产率得到trichloro(3,5,5-trimethyl-2-pyrazolinato)tris(3,5,5-trimethyl-2-pyrazoline)titanium(IV)
  参考文献：
  名称：

  卤化钛与丙酮嗪及其异构体3，5，5-三甲基吡唑啉的配合物

  摘要：

  摘要在过量的丙酮嗪存在下，氯化钛与溴化物形成配合物TiX 4（Me 2CNNCMe 2）2。当卤化物过量时，形成的产物是（TiCl 4）4（Me 2CNNCMe 2）3和TiBr 4（Me 2CNNCMe 2）。氯化钛（III）在100°C下将丙酮嗪异构化为3，5，5-三甲基-2-吡唑啉; 在这些条件下或长时间在室温下将钛（III）氧化为钛（IV），可以分离出配合物[TiCl 3（Pz'）Pz0 3]（Pz = 3，5，5-三甲基-2-吡唑啉； Pz'–H）。

  DOI：

  10.1016/s0020-1693(00)87413-7
• 作为产物：
  描述：

  tris-(triphenylphosphine)chloroplatinum(II) undecachlorotrititanate 、 乙腈 以 乙腈 为溶剂， 以88%的产率得到TiCl4 * triphenylphosphine * acetonitrile
  参考文献：
  名称：

  The chemical reactivity of tris-(triphenylphosphine)chloroplatinum(II) undecachlorotrititanate, [(C6H5P]3PtCl+Ti3Cl−11

  摘要：

  DOI：

  10.1016/s0020-1693(00)89370-6

文献信息

• The synthesis and structural characterization of [Et4N]2[Ti(SPh)6] and trimeric [Ti3O(SPh)3Cl4(CH3CN)5]·CH3CN·(C2H5)2O complexes
  作者：Jun Tae Kim、Jung Woo Park、Sang Man Koo

  DOI：10.1016/s0277-5387(00)00374-0

  日期：2000.5

  The reaction of TiCl4 with 6 equiv. of NaSPh in the presence of organic cations such as Et4N+ or PPh4+ proceeds to yield a novel homoleptic arylthiolate Ti(IV) complex, [Ti(SPh)(6)](2-). The Et4N salt of [Ti(SPh)(6)](2-) has been structurally determined. The coordination geometry around the metal ion is a regular octahedron in which the central titanium ion is located on the crystallographic inversion center. The infrared (IR) spectrum of compound I exhibits the characteristic Ti-S bond stretching vibrations of thiophenolate ligands at 480 and 430 cm(-1), and the H-1 NMR spectrum in CD3CN displays characteristic Et4N+ resonance peaks and six thiophenolate resonance peaks which are consistent with the solid state structure. The reaction of TiCl4 with 3 or 4 equiv. of NaSPh in CH3CN yields the unexpected mixture of dark purple [TiCl3(CH3CN)(3)] and dark led [Ti3O(SPh)(3)Cl-4(CH3CN)(5)] . CH3CN . (C2H5)(2)O (II) complexes. Complex II has been structurally determined by single X-ray crystallography. The IR spectrum of complex II exhibits a mu(3)-O stretching vibration at 600 cm(-1) and Ti-S vibrations of the thiophenolate ligand at 481 and 429 cm(-1). (C) 2000 Elsevier Science Ltd All rights reserved.
• The use of trimethylsilyl iodide as a synthon in coordination chemistry
  作者：G.Jeffery Leigh、J.Roger Sanders、Peter B. Hitchcock、Jaisa Soares Fernandes、Maria Togrou

  DOI：10.1016/s0020-1693(01)00801-5

  日期：2002.3

  Trimethylsilyl iodide is shown to be an efficient metathetical reagent for preparing transition-metal iodides from the corresponding chlorides. though often complications can cause problems. These include reduction of the starting metal chloride when its oxidation state is high, due to the reaction of iodide, and even oxidation of low-oxidation-state compounds, presumably by incipient silyl cations. Finally, some very inert chlorides, such as of iridium(III), react too slowly with the iodide under the experimental conditions, and simple reaction with solvent becomes predominant. (C) 2002 Elsevier Science B.V. All rights reserved.