Aluminumtrititanium dodecachloride

• 分子结构分类: 无机化合物 - 混合金属/非金属化合物 - 后过渡金属盐
• 英文名称: Aluminumtrititanium dodecachloride
• 英文别名: trichloroalumane;trichlorotitanium
• 化学式: AlCl6Ti
• 分子量: 287.6
• InChiKey: KSKPGAGLAZXNEO-UHFFFAOYSA-H

计算性质

• 辛醇/水分配系数(LogP)：
  3.75
• 重原子数：
  8
• 可旋转键数：
  0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  四氢呋喃 、 Aluminumtrititanium dodecachloride 以 四氢呋喃 、 甲苯 为溶剂， 以82%的产率得到四氢呋喃氯化钛
  参考文献：
  名称：

  钛（III）烷氧基-N-杂环卡宾和安全，低成本的生产TiCl 3（THF）3的途径

  摘要：

  报道了一种新的合成[TiCl 3（THF）3 ]的简便方法。从可商购获得的廉价化合物3TiCl 3 ·AlCl 3中萃取THF可得到无铝的[TiCl 3（THF）3 ]，为蓝色微晶固体，产率极高。用3当量的烷氧基卡宾碳烯KL [K {OCMe 2 CH 2（1-C [NCHCHNPr i ]）}]处理[TiCl 3（THF）3 ]得到均质的八面体Ti（III）三（卡宾）络合物[TiL 3 ]以高收率显示，其形成为单体-异构体通过单晶X射线衍射研究。

  DOI：

  10.1021/om060486d

文献信息

• Schaefer, Harald; Floerke, Ulrich, Zeitschrift fur Anorganische und Allgemeine Chemie
  作者：Schaefer, Harald、Floerke, Ulrich

  DOI：——

  日期：——
• Novel derivatives of ansa-titanocenes procured from 6-phenylfulvene: a combined experimental and theoretical study
  作者：Shona Fox、John P Dunne、Matthias Tacke、John F Gallagher

  DOI：10.1016/s0020-1693(03)00496-1

  日期：2004.1

  The previously prepared trans- [(1, 2-diphenyl-1,2-dicyclopentadienyl)ethanediyl] titanium(IV) dichloride, [1,2-(Ph)(2)C2H2eta(5)-C5H4}(2)]Ti(Cl)(2), was synthesised using an alternative procedure, from which its crystal structure was determined. Using this compound, a variety of other ansa-titanocene derivatives were synthesised by replacement of the chloride ligands with selected substituents. Thus RTi(X)(Y) systems where R = 1, 2-(Ph)(2)C(2)eta(5)-(CH42)-H-5; X=Y=CH3; X=CH3, Y=Cl; X=Y=NCS; X = Y = NCO: X = Y = OPh and (X/Y) = O have been synthesised and characterised. DFT calculations were performed on the complexes trans+[(1, 2-diphenyl-1,2-dicyclopentadienyl)-ethanediyl] titanium(IV) dichloride, bis-(6,6-diphenylfulvene)titanium and bis-(6,6-diphenylfulvene)iron. This demonstrated the role that the metal centre plays in their formation, generating either an ansa-metallocene, a 'tucked in' fulvene complex or a metallocene coordinating fulvene anions. (C) 2003 Elsevier B.V. All rights reserved.
• Titanium(III) Alkoxy-N-heterocyclic Carbenes and a Safe, Low-Cost Route to TiCl₃(THF)₃
  作者：Natalie A. Jones、Stephen T. Liddle、Claire Wilson、Polly L. Arnold

  DOI：10.1021/om060486d

  日期：2007.1.1

  synthesis of [TiCl3(THF)3] is reported; THF extraction from the commercially widely available and cheap compound 3TiCl3·AlCl3 affords aluminum-free [TiCl3(THF)3] in excellent yield as a blue microcrystalline solid. Treatment of [TiCl3(THF)3] with 3 equiv of the potassium alkoxy carbene KL [KOCMe2CH2(1-C[NCHCHNPri])}] affords the homoleptic, octahedral Ti(III) tris(carbene) complex [TiL3] in high yield

  报道了一种新的合成[TiCl 3（THF）3 ]的简便方法。从可商购获得的廉价化合物3TiCl 3 ·AlCl 3中萃取THF可得到无铝的[TiCl 3（THF）3 ]，为蓝色微晶固体，产率极高。用3当量的烷氧基卡宾碳烯KL [K OCMe 2 CH 2（1-C [NCHCHNPr i ]）}]处理[TiCl 3（THF）3 ]得到均质的八面体Ti（III）三（卡宾）络合物[TiL 3 ]以高收率显示，其形成为单体-异构体通过单晶X射线衍射研究。