Ir(cyclooctadiene)(o-C6H4P(phenyl)2N(phenyl)) | 663627-59-6

• 英文名称: Ir(cyclooctadiene)(o-C6H4P(phenyl)2N(phenyl))
• CAS: 663627-59-6
• 化学式: C₃₂H₃₁IrNP
• 分子量: 652.799
• InChiKey: CHDXIMDCJUJHAY-GHDUESPLSA-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：

  bis(1,5-cyclooctadiene)diiridium(I) dichloride 、 [Li₂(o-C₆H₄PPh₂NPh)₂]OEt₂ 以 四氢呋喃 为溶剂， 以67%的产率得到Ir(cyclooctadiene)(o-C6H4P(phenyl)2N(phenyl))
  参考文献：
  名称：

  Anionic Phosphinimine-Chelate Complexes of Rhodium and Iridium:  Steric and Electronic Influences on Oxidative Addition of CH₂Cl₂

  摘要：

  The phosphinimines Ph3PNR (R = Ph 1, 2,6-Me2C6H3 2, 3,5-Me2C6H3 3, 2,6-i-Pr2C6H3 4) were prepared and used to generate the species of the form [Li(o-C6H4PPh2NR)](2).Et2O (R = Ph 5, 2,6-Me2C6H3 6, 3,5-Me2C6H3 7, 2,6-i-Pr2C6H3 8). Subsequent reactions with [Rh(mu-Cl)(COD)](2) gave the complexes Rh(COD)(o-C6H4PPh2NR) (R = Ph 9, 2,6-Me2C6H3 10, 3,5-Me2C6H3 11, 2,6-i-Pr2C6H3 12). Similarly, the Ir analogue of 9 (13) was prepared using [Ir(mu-Cl)(COD)](2). The reaction of 9 with (CH2PPh2)(2) afforded Rh(PPh2CH2CH2PPh2)(o-C6H4PPh2NPh) (14). Compound 9 was also shown to react with CH2Cl2 to give two products, one of which was confirmed to be [Rh(o-C6H4PPh2NPh)(CH2-o-C6H4PPh2NPh)(mu-Cl)(2)Rh(COD)] (15). Similar treatment of 10 and 12 with CH2Cl2 showed no reaction, while reaction of 11 with CH2Cl2 gave a mixture of unidentified products. The related imidazole-phosphinimine ligands (N2C3H3)PPh2NR (R = Ph 18, 2,6-Me2C6H3 19) were also prepared. These ligands react with NaH to give the corresponding Na-imidazolate-phosphinimines, 20 and 21, and subsequent reaction with [Rh(mu-Cl)(COD)](2) gave the complexes Rh(COD)((N2C3H2)PPh2NR) (R = Ph 22, 2,6-Me2C6H3 23). The compounds 22 and 23 do not react with CH2Cl2. The effects of steric and electronic modifications to the ligands on oxidative addition of C - Cl bonds are discussed. DFT calculations were performed on the model fragments [Rh((C6H4)PH2NH)] and [Rh((N2C3H2)PH2NH)], and the calculated atomic charges provide some insight into the reactivity of these compounds.

  DOI：

  10.1021/om030539g