[Re(4-methylphenylimido)Cl₃(triphenylphosphine)₂] | 68011-45-0

• 英文名称: [Re(4-methylphenylimido)Cl₃(triphenylphosphine)₂]
• 英文别名: [Re(p-tolylimido)Cl₃(triphenylphosphine)₂]
• CAS: 68011-45-0；83461-46-5
• 化学式: C₄₃H₃₈Cl₃NP₂Re
• 分子量: 923.295
• InChiKey: YPEZTXZPQIZGFP-UHFFFAOYSA-L

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：

  甲醇 、 2,2'-二吡啶胺 、 [Re(4-methylphenylimido)Cl₃(triphenylphosphine)₂] 以 苯 为溶剂， 反应 4.0h， 以42%的产率得到[Re(4-methylphenylimido)Cl(methoxy)(2,2'-dipyridylamine)(triphenylphosphine)]ReO₄
  参考文献：
  名称：

  Synthesis, spectroscopic characterization, X-ray structure and DFT calculations of p-tolylimido rhenium(V) complexes of 2,2′-dipyridylamine

  摘要：

  The imido rhenium(V) complexes [Re(p-NC6H4CH3)X(OMe)(Hdpa)(PPh3)]ReO4 (Hdpa = 2,2'-dipyridylamine and X = Cl in 1 and Br in 2) have been synthesized and characterised spectroscopically and structurally (by single-crystal X-ray diffraction). The experimental studies on 1 have been accompanied computationally by the density functional theory (DFT) and time-dependent OFT calculations. Additional information about the Re-NR bond characteristics in [Re(p-NC6H4CH3)Cl(OMe)(Hdpa)(PPh3)(+) was obtained by NBO analysis. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2013.01.007