Ru(CCC(CH2C6H3Me2-3,5)=C(CN)2)(dppe)(η5-C5Me5) | 1375112-85-8

• 英文名称: Ru(CCC(CH2C6H3Me2-3,5)=C(CN)2)(dppe)(η5-C5Me5)
• CAS: 1375112-85-8
• 化学式: C₅₁H₅₀N₂P₂Ru
• 分子量: 853.989
• InChiKey: UAILNOPJERIPKH-UHFFFAOYSA-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

• 作为产物：
  描述：

  Ru{C≡CC(CN)=C(CN)₂}(dppe)Cp* 、 magnesium,1,3,5-trimethylbenzene-6-ide,bromide 以 四氢呋喃 为溶剂， 以11%的产率得到Ru(CCC(CH2C6H3Me2-3,5)=C(CN)2)(dppe)(η5-C5Me5)
  参考文献：
  名称：

  Polarized Complexes Obtained by Regiospecific Substitution of a CN Group in Ru{C≡CC(CN)═C(CN)₂}(dppe)Cp* (Cp* = η-C₅Me₅)

  摘要：

  The complex Ru{C CC(CN)=C(CN)(2)}(dppe)Cp* (1), containing the new tricyanovinylethynyl (3,4,4-tricyanobut-3-en-1-ynyl) ligand, undergoes ready substitution of the 3-cyano group by nucleophiles (Nu) such as H, Me, Pr-i, Bu, Bu-t, mesityl, OMe, OBut, OCH2CH=CH2, NHEt, NEt2, and PPh2 to give Ru{C CC(Nu)=C(CN)2}(dppe)Cp*. The X-ray diffraction structures of several of the resulting complexes are reported and, for the mesityl and PPh2 products, show that isomerization to the 3,5-dimethylbenzyl and oxidation to the phosphine oxide have respectively occurred.

  DOI：

  10.1021/om300059q