[PtCl((CD3C6D3)(2-ClC6H3)CHNCH2(4-ClC6H4))(SOMe2)] | 915728-40-4

• 英文名称: [PtCl((CD3C6D3)(2-ClC6H3)CHNCH2(4-ClC6H4))(SOMe2)]
• CAS: 915728-40-4
• 化学式: C₂₃H₂₂Cl₃NOPtS
• 分子量: 667.891
• InChiKey: ZAXNCBQSECFPLP-GCPCQMFFSA-M

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：

  (2,6-Cl2C6H3)CH=NCH2(4'-ClC6H4) 、 氘代甲苯 、 [Pt(OAc)2(SOMe2)2] 以 氘代甲苯 为溶剂， 生成 [PtCl((CD3C6D3)(2-ClC6H3)CHNCH2(4-ClC6H4))(SOMe2)] 、 [PtCl((CD3C6D3)(2-ClC6H3)CHNCH2(4-ClC6H4))(SOMe2)]
  参考文献：
  名称：

  Platinum-Mediated C−H Bond Activation of Arene Solvents and Subsequent C−C Bond Formation

  摘要：

  The reactions of cis-[PtCl2(SOMe2)(2)] and imines 2,6-Cl2C6H3CH=NCH2(4-XC6H4) (1a, X = H; 1b, X = Cl), 2,6-Cl2C6H3CH=NCH2(2,6-F2C6H3) (1f), and 2,6-Cl2C6H3CH=N(4-ClC6H4) (1g) carried out in toluene at 90 degrees C in the presence of sodium acetate dissolved in methanol produced compounds [PtCl{(MeC6H3)(2-ClC6H3)CHNR)}SOMe2] (R = CH2C6H5 (4a), CH2(4-ClC6H4) (4b), CH2(2,6-F2C6H3) (4f), and 4-ClC6H4 (4g)), containing seven-membered platinacycles via "formal insertion" of a toluene molecule in the metallacycle. These compounds are formed in a process involving several steps, the most relevant being intermolecular C-H activation of a solvent toluene molecule and formation of a carbon-carbon bond. The reaction of cis-[PtCl2(SOMe2)(2)] and imine 2,6-Cl2C6H3CH=NCH2(4-CIC6H4) (1b) under analogous conditions was also carried out using other arene solvents such as benzene and ortho-, meta-, and para-xylene and produced in all cases seven-membered platinacycles. DFT calculations indicate that the stability of the metallacycles increases in the order p-xylyl < m-xylyl < o-xylyl < tolyl < phenyl and have helped to suggest a possible reaction path.

  DOI：

  10.1021/om100743z