(η5-pentamethylcyclopentadienyl)(η4-2,5-dimethylthiophene)iridium | 122424-96-8

• 英文名称: (η5-pentamethylcyclopentadienyl)(η4-2,5-dimethylthiophene)iridium
• CAS: 122424-96-8
• 化学式: C₁₆H₂₃IrS
• 分子量: 439.645
• InChiKey: PHPHSYQBVUVUHA-UHFFFAOYSA-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

• 作为反应物：
  描述：

  (η5-pentamethylcyclopentadienyl)(η4-2,5-dimethylthiophene)iridium 、 碘甲烷 以 二氯甲烷 为溶剂， 以63%的产率得到[(η5-pentamethylcyclopentadienyl)Ir(η4-2,5-Me2C4H2SCH3)]I
  参考文献：
  名称：

  Reactions of Cp*Ir(2,5-dimethylthiophene) with electrophiles, acids, and maleic anhydride

  摘要：

  This paper describes reactions of the two isomers (eta Cp5-*)Ir(eta (4)-2,5-Me2T) (1) and (eta (5)-Cp*)Ir(C.S-2,5-Me2T) (2), where 2,5-Me2T is 2,5-dimethylthiophene, with several electrophiles, acids, and maleic anhydride. The reactions of 1 and 2 with methyl iodide give the same product Cp*Ir(eta (4)-2,5-Me2T . CH3)(+) in which the CH3+ is bonded to the sulfur atom, as established by X-ray studies. The reaction of 1 with maleic anhydride gives two structurally characterized products: Cp*Ir[eta (1) (S)-Cp*Ir(eta (4)-2,5-Me2T)][eta (2)-C4H2O3] (13). in which S-coordinated Cp*Ir(eta (4)-2,5-Me2T) and eta (2)-maleic anhydride are ligands to the Cp*Ir unit, and another product (12) that has the composition of 13 except for one additional oxygen atom. Complex 12, with a complicated and unusual structure, is also isolated from the reaction of maleic anhydride and the acylthiolate Cp*Ir[eta (4)-C3H2MeC(=O)Me] (14). Reactions of 1 and 2 with a variety of other agents (MeS-SMe2+, CF3SO3H, HCl, H2S. EtOH and I-2) are also described. (C) 2001 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s0022-328x(00)00752-x
• 作为产物：
  描述：

  [(η5-pentamethylcyclopentadienyl)Ir(η4-2,5-Me2C4H2SCH3)](BF4) 、 二异丙胺 在 n-butyl lithium 作用下， 以 四氢呋喃 为溶剂， 以45%的产率得到(η5-pentamethylcyclopentadienyl)(η4-2,5-dimethylthiophene)iridium
  参考文献：
  名称：

  Reactions of Cp*Ir(2,5-dimethylthiophene) with electrophiles, acids, and maleic anhydride

  摘要：

  This paper describes reactions of the two isomers (eta Cp5-*)Ir(eta (4)-2,5-Me2T) (1) and (eta (5)-Cp*)Ir(C.S-2,5-Me2T) (2), where 2,5-Me2T is 2,5-dimethylthiophene, with several electrophiles, acids, and maleic anhydride. The reactions of 1 and 2 with methyl iodide give the same product Cp*Ir(eta (4)-2,5-Me2T . CH3)(+) in which the CH3+ is bonded to the sulfur atom, as established by X-ray studies. The reaction of 1 with maleic anhydride gives two structurally characterized products: Cp*Ir[eta (1) (S)-Cp*Ir(eta (4)-2,5-Me2T)][eta (2)-C4H2O3] (13). in which S-coordinated Cp*Ir(eta (4)-2,5-Me2T) and eta (2)-maleic anhydride are ligands to the Cp*Ir unit, and another product (12) that has the composition of 13 except for one additional oxygen atom. Complex 12, with a complicated and unusual structure, is also isolated from the reaction of maleic anhydride and the acylthiolate Cp*Ir[eta (4)-C3H2MeC(=O)Me] (14). Reactions of 1 and 2 with a variety of other agents (MeS-SMe2+, CF3SO3H, HCl, H2S. EtOH and I-2) are also described. (C) 2001 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s0022-328x(00)00752-x