[Pd(π-allyl)(C60(CN)Me5Ph5)] | 745075-38-1

• 英文名称: [Pd(π-allyl)(C60(CN)Me5Ph5)]
• CAS: 745075-38-1
• 化学式: C₉₉H₄₅NPd
• 分子量: 1354.87
• InChiKey: PPXAWCRYCBZCCQ-CCFQZCTDSA-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：
  None
• 氢给体数：
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• 氢受体数：
  None

反应信息

• 作为产物：
  描述：

  1-cyano-6,9,12,15,18-pentamethyl-43,46,49,52,55-pentaphenyl-1,6,9,12,15,18,43,46,49,52,55,57-dodecahydro(C⁶⁰-I^h)[5,6]fullerene 、 bis(η3-allyl-μ-chloropalladium(II)) 在 (t-butyl)OK 作用下， 以 四氢呋喃 为溶剂， 以57%的产率得到[Pd(π-allyl)(C60(CN)Me5Ph5)]
  参考文献：
  名称：

  Creation of Hoop- and Bowl-Shaped Benzenoid Systems by Selective Detraction of [60]Fullerene Conjugation. [10]Cyclophenacene and Fused Corannulene Derivatives

  摘要：

  Selective penta-addition of a methylcopper reagent followed by addition of a phenylcopper reagent to a suitably modified synthetic intermediate results in creation of 40pi-electron systems-hoop- and bowl-shaped cyclic benzenoid compounds, [10]cyclophenacene, and dibenzo-fused corannulene derivatives. The 40pi-electron cyclophenacene derivatives have been found to be chemically stable, yellow-colored, luminescent (560 nm), and EPR-silent. X-ray crystallographic analysis provided precision structural data sets. The dibenzo-fused corannulene derivatives exhibit blue-green (460 nm) to red (649 nm) fluorescence.

  DOI：

  10.1021/ja048683w