(η(4)-1,5-cyclooctadiene)(N-hydroxy-4-methoxy-N-methylthiobenzamido-O,S)iridium(I) | 169136-00-9

• 英文名称: (η(4)-1,5-cyclooctadiene)(N-hydroxy-4-methoxy-N-methylthiobenzamido-O,S)iridium(I)
• 英文别名: η4-cycloocta-1,5-diene(N-methyl-4-methoxybenzothiohydroxamato-κO,κS)iridium(I)；(cod)(N-methyl-4-methoxybenzothiohydroxamato-κO,κS)iridium(I)
• CAS: 169136-00-9
• 化学式: C₁₇H₂₂IrNO₂S
• 分子量: 496.653
• InChiKey: HTHQXZPQVSIMIP-GHDUESPLSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
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• 可旋转键数：
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• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  (η(4)-1,5-cyclooctadiene)(N-hydroxy-4-methoxy-N-methylthiobenzamido-O,S)iridium(I) 、 碘甲烷 以 苯 为溶剂， 生成 (η4-cycloocta-1,5-diene)iodomethyl(N-methyl-4-methoxybenzothiohydroxamato-κO,κS)iridium(III)
  参考文献：
  名称：

  Mechanistic investigation of the oxidative addition reactions between different iridium (I) cyclooctadiene ([Ir(LL′)(cod)]) complexes and iodomethane

  摘要：

  The oxidative addition reactions between two different [Ir(cod)(LL ')] complexes (LL ' = hpt and AnMetha) and iodomethane was kinetically investigated. The rate of oxidative addition was determined as 2.2(2) x 10(-2) and 2.69(6) x 10(-2) M-1 s(-1) for [lr(cod)(hpt)] and [Ir(cod)(AnMetha)] in nitromethane respectively. The large negative entropy of activation for the above-mentioned reactions in different solvents clearly point to an associative mechanism. An intrinsic volume of activation of -30.5(3) and -28(3) cm(3) mol(-1) was determined for [lr(cod)(hpt)] and [lr(cod)(AnMetha)], respectively. A linear transition state with large charge separation and central ion contraction due to oxidation, contributes to the negative volume of activation. (c) 2005 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2004.06.070
• 作为产物：
  描述：

  bis(1,5-cyclooctadiene)diiridium(I) dichloride 、 N-methyl-p-methoxybenzothiohydroxamic acid 以 N,N-二甲基甲酰胺 为溶剂， 以70%的产率得到(η(4)-1,5-cyclooctadiene)(N-hydroxy-4-methoxy-N-methylthiobenzamido-O,S)iridium(I)
  参考文献：
  名称：

  Mechanistic investigation of the oxidative addition reactions between different iridium (I) cyclooctadiene ([Ir(LL′)(cod)]) complexes and iodomethane

  摘要：

  The oxidative addition reactions between two different [Ir(cod)(LL ')] complexes (LL ' = hpt and AnMetha) and iodomethane was kinetically investigated. The rate of oxidative addition was determined as 2.2(2) x 10(-2) and 2.69(6) x 10(-2) M-1 s(-1) for [lr(cod)(hpt)] and [Ir(cod)(AnMetha)] in nitromethane respectively. The large negative entropy of activation for the above-mentioned reactions in different solvents clearly point to an associative mechanism. An intrinsic volume of activation of -30.5(3) and -28(3) cm(3) mol(-1) was determined for [lr(cod)(hpt)] and [lr(cod)(AnMetha)], respectively. A linear transition state with large charge separation and central ion contraction due to oxidation, contributes to the negative volume of activation. (c) 2005 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2004.06.070