Ru(C[=C(CN)2]CPh=C(CN)(CO2Me))(PPh3)Cp | 1042977-29-6

• 英文名称: Ru(C[=C(CN)2]CPh=C(CN)(CO2Me))(PPh3)Cp
• CAS: 1042977-29-6；1042721-30-1
• 化学式: C₃₉H₃₁N₂O₄PRu
• 分子量: 723.73
• InChiKey: QUMRBUMJJIKDSX-BNFGTGEWSA-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(phenylacetylene)(PPh3)2Cp 、 dimethyl 2,3-dicyanofumarate 以 苯 为溶剂， 以21%的产率得到Ru(C[=C(CN)2]CPh=C(CN)(CO2Me))(PPh3)Cp
  参考文献：
  名称：

  Reactions of Alkynyl−Ruthenium Complexes with the Ketene Dithioacetal, (MeS)₂C═C(CN)₂

  摘要：

  Reactions of several alkynyl-ruthenium complexes with the ketene dithioacetal (MeS)(2)C=C(CN)(2) (2) are described. The first examples of metalated 6-alkylthio-6-azafulvenes, Ru{C=CRC-(SMe)=QCN)C=N(SMe)} PPh3)CP [R = Ph (5a), Fc (5b)], were obtained from Ru(C=CR)(PPh3)(2)CP, while Ru(C=CPh)(CO)(PPh3)CP gave dienyl complexes Ru{C(SMe)=CPhC(SMe)=C(CN)(2)}(CO)(PPh3)nCP [n = 1 (8), 0 (9)]. Yields of the azafulvenes were increased under conditions conducive to radical formation. The reaction between 5 and Ru(C=CC=CPh)(PPh3)(2)Cp afforded the alkynyl - dienyl Ru{C(SMe)=C(C CPh)C(SMe)=C(CN)(2)}(PPh3)CP (11) and the dienynyl Ru{C CC(SMe)=CPhC(SMe)=C(CN)(2)}(PPh3)(2)CP (12), formed by formal insertion of either C C triple bond into one C-S bond. The reaction of Ru(C CPh)(PPh3)(2)Cp with dimethyl 2,3-dicyanofumarate (3) afforded diastereomers of the eta(3)-dienyl complex Rut 7{eta(3)-C(CN)(CO2Me)CPhC=C(CN)(CO2Me)}(PPh3)CP (13). XRD structural determinations of 5a, 8, 9, 11, and one diastereomer of 13 are reported.

  DOI：

  10.1021/om7011437