[IrCl(CO)(CH3)I(ethyl isonicotinate)] | 1228302-67-7

• 英文名称: [IrCl(CO)(CH3)I(ethyl isonicotinate)]
• 英文别名: [IrCl(Me)(CO)I(C5H4N-4-COOEt)]
• CAS: 1228302-67-7
• 化学式: C₁₀H₁₂ClIIrNO₃
• 分子量: 548.788
• InChiKey: COWSUCNDBVKPNF-UHFFFAOYSA-L

计算性质

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反应信息

• 作为产物：
  描述：

  异烟酸乙酯 以 二氯甲烷 、 乙腈 为溶剂， 生成 [IrCl(CO)(CH3)I(ethyl isonicotinate)]
  参考文献：
  名称：

  Dicarbonyliridium(I) complexes of pyridine ester ligands and their reactivity towards various electrophiles

  摘要：

  The reaction of dimeric precursor [Ir(CO)(2)Cl](2) with two molar equivalent of the pyridine-ester ligands (L) like methyl picolinate (a), ethyl picolinate (b), methyl nicotinate (c), ethyl nicotinate (d), methyl isonicotinate (e) and ethyl isonicotinate (f) affords the tetra coordinated neutral complexes of the type [Ir(CO)(2)ClL] (1a-f). The single crystal X-ray structure of 1d reveals that the Ir atom occupies the centre of an approximately square planar geometry with two CO groups cis- to each other. Intermolecular C-H center dot center dot center dot O and Ir center dot center dot center dot C interactions greatly stabilize the supramolecular structure of 1d in the solid state. The oxidative addition (OA) reactions of 1a-f with different electrophiles such as CH3I, C2H5I and I-2 undergo decarbonylation of one CO group to generate the oxidized products of the type [Ir(CO)RClIL] where R = -CH3 (2a-f); -C2H5 (3a-f) and [Ir(CO)ClI2L] (4a-f). Kinetic study of the reaction of 1c-f with CH3I indicates a first order reaction which follow the order 1d > 1c > 1f > 1e. All the synthesized complexes were characterized by elemental analyses, IR, and multinuclear NMR spectroscopy. (C) 2010 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2010.01.015