(N-[2-P(CHMe2)2-4-methylphenyl]2(1-))Ti=CDSiMe3(C6D5) | 871558-40-6

• 英文名称: (N-[2-P(CHMe2)2-4-methylphenyl]2(1-))Ti=CDSiMe3(C6D5)
• CAS: 871558-40-6
• 化学式: C₃₆H₅₅NP₂SiTi
• 分子量: 645.705
• InChiKey: LUZQQRXDYQUQHX-OPJBOPRDSA-N

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

• 作为反应物：
  描述：

  (N-[2-P(CHMe2)2-4-methylphenyl]2(1-))Ti=CDSiMe3(C6D5) 、 苯 以 苯 为溶剂， 生成 (N-[2-P(CHMe2)2-4-methylphenyl]2(1-))Ti=CHSiMe3(C6H5)
  参考文献：
  名称：

  Intermolecular C−H Bond Activation Promoted by a Titanium Alkylidyne

  摘要：

  The transient titanium alkylidyne complex (PNP)TiCtBu (PNP = N-[2-P(CHMe2)2-4-methylphenyl]2-), prepared from alpha-hydrogen abstraction of the corresponding alkylidene-alkyl species (PNP)Ti=CHtBu(CH2tBu), can readily undergo intermolecular 1,2-addition of C-H bonds of benzene and SiMe4. Synthesis and reactivity, isotopic labeling, kinetics, and theoretical studies strongly favor an alkylidyne pathway and the alpha-H abstraction step to be the rate-determining step.

  DOI：

  10.1021/ja0556934
• 作为产物：
  描述：

  (N-[2-P(CHMe2)2-4-methylphenyl]2(1-))Ti=CHSiMe3(CH2SiMe3) 、 氘代苯 以 氘代苯 为溶剂， 以99%的产率得到(N-[2-P(CHMe2)2-4-methylphenyl]2(1-))Ti=CDSiMe3(C6D5)
  参考文献：
  名称：

  Intermolecular C−H Bond Activation Promoted by a Titanium Alkylidyne

  摘要：

  The transient titanium alkylidyne complex (PNP)TiCtBu (PNP = N-[2-P(CHMe2)2-4-methylphenyl]2-), prepared from alpha-hydrogen abstraction of the corresponding alkylidene-alkyl species (PNP)Ti=CHtBu(CH2tBu), can readily undergo intermolecular 1,2-addition of C-H bonds of benzene and SiMe4. Synthesis and reactivity, isotopic labeling, kinetics, and theoretical studies strongly favor an alkylidyne pathway and the alpha-H abstraction step to be the rate-determining step.

  DOI：

  10.1021/ja0556934