IrHCl(κN,C-(bq))(P(i)Pr3)2 | 1134263-85-6

• 英文名称: IrHCl(κN,C-(bq))(P(i)Pr3)2
• CAS: 1134263-85-6
• 化学式: C₃₁H₅₁ClIrNP₂
• 分子量: 727.373
• InChiKey: ZBPVHVCOKGTONK-UHFFFAOYSA-M

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：

  7,8-苯并喹啉 、 IrHCl₂(PⁱPr₃)₂ 在 triethylamine 作用下， 以 甲苯 为溶剂， 以90%的产率得到IrHCl(κN,C-(bq))(P(i)Pr3)2
  参考文献：
  名称：

  NH-Tautomerization of Quinolines and 2-Methylpyridine Promoted by a Hydride-Iridium(III) Complex: Importance of the Hydride Ligand

  摘要：

  The reactions of the iridium complexes IrHCl2((PPr3)-Pr-i)(2) (1) and IrCl(eta(2)-C8H14)((PPr3)-Pr-i)(2) (2) with quinoline, 8-methylquinoline, 2-methylpyridine and benzo[h]quinoline (Hbq) have been studied. Complex 1 promotes the NH-tautomerization of quinoline and 8-methylquinoline and stabilizes the resulting NH-tautomers to afford IrHCl2{kappa-C-(HNC9H6)}((PPr3)-Pr-i)(2) (3) and IrHCl2{kappa-C-(HNC9H5CH3)}((PPr3)-Pr-i)(2) (4), while the respective reactions of 2 lead toIrH{CH2CH(CH3)(PPr2)-Pr-i}Cl{kappa-N-(NC9H7)}((PPr3)-Pr-i) (5) and IrHCl(CH2C9H6N)((PPr3)-Pr-i)(2) (6). Complex 1 also tautomerizes 2-methylpyridine and stabilizes the resulting tautomer to give IrHCl2 {kappa-C-(HNC5H3CH3)} ((PPr3)-Pr-i)(2) (7). However, in the presence of 2, the tautomerization does not occur. Treatment of 2 with 2-methylpyridine leads to a mixture of unidentified nontautomer derivatives. The products from the reactions of I with benzo[h]quinoline depend upon the metal/heterocycle ratios used. Treatment of 1 with 1.2 equiv of benzo[h]quinoline leads to the NH-tautomer derivative IrHCl2{kappa-C-(HNbq))((PPr3)-Pr-i)(2) (8; 15%) and the metalated species IrHCl{kappa-N,C-(bq))((PPr3)-Pr-i)(2) (9; 85%). However, when a 1:3 molar ratio is used, 9 (60%) and the salt [HNHbq][IrHCl3((PPr3)-Pr-i)(2)] (10, 40%; HNHbq = benzo[h]quinolinium) are formed. Complexes 4, 5, 6, 7, 9, and 10 have been characterized by X-ray diffraction analysis. The mechanism of the NH-tautomeration is also reported.

  DOI：

  10.1021/om8011954