[Ti(N(t)Bu)(Me3[9]aneN3)(MeC(NTol)2)][B(C6F5)4] | 1079390-87-6

• 英文名称: [Ti(N(t)Bu)(Me3[9]aneN3)(MeC(NTol)2)][B(C6F5)4]
• CAS: 1079390-87-6
• 化学式: C₂₄BF₂₀*C₂₉H₄₇N₆Ti
• 分子量: 1206.66
• InChiKey: IZKAEDKJOPFPQN-UHFFFAOYSA-N

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

• 作为产物：
  描述：

  [Ti(NC(CH3)3)(1,4,7-trimethyltriazacyclononane)(CH3)2] 、 1,3-二对甲苯基碳二酰亚胺 、 三苯碳四(五氟苯基)硼酸盐 以 氯苯 为溶剂， 以57%的产率得到[Ti(N(t)Bu)(Me3[9]aneN3)(MeC(NTol)2)][B(C6F5)4]
  参考文献：
  名称：

  Ti═NR vs Ti−R′ Functional Group Selectivity in Titanium Imido Alkyl Cations from an Experimental Perspective

  摘要：

  A study of the reactions of the titanium imido methyl cation [Ti((NBu)-Bu-t)(Me-3[9]aneN(3))X](+) (5(+), X = Me) and key analogues (6(+), X = CH2SiMe3; 7(+), X = Cl) with a range of unsaturated substrates provides a comprehensive evaluation of reaction site selectivity in transition-metal cations which contain both Ti=NR and Ti-R ' functional groups as potential sites for 2 pi + 2 pi cycloaddition and migratory insertion, respectively. Cations 5+ and 6(+) reacted with MeCN to form Ti-R ' insertion products. Insertion reactions were also exclusively observed in their reactions with N,N '-disubstituted carbodiimides or tert-butyl isocyanate. In contrast, reaction of the chloride cation 7+ with diisopropylcarbodiimide or tert-butyl isocyanate afforded the unusual a adducts [Ti((NBu)-Bu-t)(Me-3[9]aneN(3))(L)Cl](+) (L = (PrNCNi)-Pr-i Pr, (BuNCO)-Bu-t), which slowly underwent 2,7 + 2 pi cycloaddition. Reaction of 5+ with the internal alkynes PhCCR (R = Ph, SiMe3) also showed exclusive preference for insertion into the Ti-Me bond. In contrast, reaction with terminal alkynes RCCH (R = Ph, SiMe3) yielded only the azametallacyclic products via 2-pi + 2 pi cycloaddition reactions. The chloride cation 7+ also underwent a 2 pi + 2 pi cycloaddition with PhCCH but was unreactive toward PhCCPh, ethylene, styrene, or 1-hexene.

  DOI：

  10.1021/om800709f