[TiCl((η5-C5Me4(CH2C(Me)=CH2)2] | 724763-18-2

• 英文名称: [TiCl((η5-C5Me4(CH2C(Me)=CH2)2]
• CAS: 724763-18-2
• 化学式: C₂₆H₃₈ClTi
• 分子量: 433.921
• InChiKey: NPJYUTZLXDIWOX-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
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• 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

• 作为产物：
  描述：

  [TiCl2((η5-C5Me4(CH2C(Me)=CH2)2] 在 Mg 作用下， 以 四氢呋喃 为溶剂， 生成 [TiCl((η5-C5Me4(CH2C(Me)=CH2)2]
  参考文献：
  名称：

  Irregular cyclization reactions in titanocenes bearing pendant double bonds

  摘要：

  Reduction of methyl-substituted titanocene dichlorides bearing pendant double bonds [TiCl2 {eta(5)-C5Me4(CH2CMe=CH2)}(2)] (1) and [TiCl2 {eta(5)-C5Me4(SiMe2(CH2)(2)CH=CH2)}(2)] (2) with magnesium yielded diamagnetic Ti(IV) compound [Ti{eta(1):eta(1):eta(5)-Me-3(CH2)(CH2CH(Me)CH2)} {eta(5)-C5Me4(CH2C(Me)=CH2)}] (4) and paramagnetic Ti(III) compound [Ti{eta(5)-C5Me4(SiMe2CH2CH=CHMe)}(mu-eta(3),eta(1),eta(5,eta1)(Ti:Mg){C5Me3(CH2)(SiMe2CHCHCMe)})Mg(OC4H8)(2)] (6), respectively. The reluctance of titanocene intermediates to undergo intramolecular cyclization to cyclopentadienyl-ring-tethered titanacycles (as typically observed) can be explained by a shortness of the 2-methylallyl group and steric hindrance of its double bond in the former case and, in the latter case. by an attack of magnesium on the titanocene intermediate. faster than cyclization reactions. The crystal structures of 4 and 6 were determined by single-crystal X-ray diffraction. (C) 2004 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2004.02.040