Cp(*)Ir(κ2-6-methyl-2-pyridonato)Cl | 1258795-02-6

• 英文名称: Cp(*)Ir(κ2-6-methyl-2-pyridonato)Cl
• 英文别名: Cp(*)Ir(κ2-6-Me-2-hp)Cl
• CAS: 1258795-02-6
• 化学式: C₁₆H₂₁ClIrNO
• 分子量: 471.022
• InChiKey: XGCYXPZBPFCRCP-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：

  bis[dichloro(pentamethylcyclopentadienyl)iridium(III)] 、 sodium 6-methyl-2-pyridolate 以 甲醇 、 二氯甲烷 为溶剂， 以65%的产率得到Cp(*)Ir(κ2-6-methyl-2-pyridonato)Cl
  参考文献：
  名称：

  Organoiridium Pyridonates and Their Role in the Dehydrogenation of Alcohols

  摘要：

  New derivatives of 2 hydroxypyridine (2 hpH) and Cp*Ir(III) are described Under conditions for catalytic dehydrogenation of 1 phenylethanol catalyzed by Cp*IrCl(kappa(2) 2 hp) (1) the main species observed are [Cp*(2)Ir(2)H(2)(2 hp)]Cl ([2]Cl) and Cp*IrHCl(kappa(1) 2 hpH) (3) Crystallographic analysis confirms that the cation in [2]PF(6) consists of a Cp*(2)Ir(2)(mu H)(lambda)(2+) core complemented by a pyridonate ligand that bridges via O and N centers Although [2]Cl is catalytically highly active the related salt [2]PF(6) is not Addition of chloride sources reactivates [2]PF(6) Collectively our experiments indicate that [2]Cl is a resting state that reverts to a more active species which we propose is 1 itself In situ NMR observations and PPh(3) trapping experiments show that under catalytically relevant conditions 1 rapidly converts to 3 which can be observed spectroscopically Compound 3 was independently generated by transfer hydrogenation of 1 In other experiments 1 was found to ring open upon treatment with PPh(3) to give Cp*IrCl(kappa(1) 2 hp)(PPh(3)) which in turn was found to react with AgPF(6) to give [Cp*Ir(kappa(2) 2 hp)(PPh(3))]PF(6) Both PPh(3) derivatives proved catalytically inactive for dehydrogenation Cp*IrCl(kappa(2) 2 hp 6 Me) was also prepared but could not be converted to kappa(1) 2 hpH 6 Me derivatives The complex Cp*IrCl(C(5)H(3)O(2)NH) nominally derived from the conjugate base of 2 6 dihydroxypyridine features the novel ligand eta(3) C(3)H(3)(CO)(2)NH

  DOI：

  10.1021/om100901b