(OC-6-42)-[Ir(Cl)(PPh3)2(NCMe)(CO)(η(1)-CHCCH2)](OSO2CF3) | 191851-97-5

• 英文名称: (OC-6-42)-[Ir(Cl)(PPh3)2(NCMe)(CO)(η(1)-CHCCH2)](OSO2CF3)
• CAS: 191851-97-5
• 化学式: CF₃O₃S*C₄₂H₃₆ClIrNOP₂
• 分子量: 1009.44
• InChiKey: VGLOBGJKYRTLKE-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

• 作为产物：
  描述：

  (OC-6-42)-Ir(Cl)(PPh3)2(OSO2CF3)(CO)(η(1)-CHCCH2) 、 乙腈 以 氘代氯仿 为溶剂， 生成 (OC-6-42)-[Ir(Cl)(PPh3)2(NCMe)(CO)(η(1)-CHCCH2)](OSO2CF3)
  参考文献：
  名称：

  Coordination of Aniline to an (η¹-Allenyl)iridium Complex Leading to Hydroanilination

  摘要：

  Formation of the N-arylated eta(3)-aza-TMM complexes of iridium from regioselective hydroanilination of an octahedral (eta(1)-allenyl)iridium complex has been studied. (OC-6-42)-Ir(Cl)(PPh(3))(2)(OTf)(CO)(eta(1)-CHCCH2) (2) undergoes the substitution of L (L = NH3, NH2NH2, MeNH(2), EtNH(2), (PrNH2)-Pr-i, PhCH(2)NH(2)) for the triflate ligand to yield {(OC-6-42)-Ir(Cl)(PPh(3))(2)-(L)(Co)(eta(1)-CHCCH2)}(OTf) (3d-i). In contrast, the reactions of 2 with XC(6)H(4)NH(2) (X = F, NO2, MeO, H, Me), Ph(2)NH, and Ph(Me)NH result in regioselective addition at the allenyl ligand, thereby generating the N-arylated eta(3)-aza-TMM complexes 5a-g. The mechanistic studies confirm that the hydroanilination is preceded by the formation of an aniline-ligated intermediate.

  DOI：

  10.1021/om9602623