| 465500-45-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• CAS: 465500-45-2
• 化学式: C₄₂H₇₃ClIrP₃Si
• 分子量: 926.721
• InChiKey: BMTMQUSBPTWXRG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  13.13
• 重原子数：
  48.0
• 可旋转键数：
  16.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  0.0
• 氢给体数：
  0.0
• 氢受体数：
  0.0

反应信息

• 作为反应物：
  描述：

  四(五氟苯基)硼酸锂与乙醚的化合物 、 以 二氯甲烷-D2 为溶剂， 以99%的产率得到
  参考文献：
  名称：

  Synthesis and characterization of the sterically hindered iridium(III)–silyl complex: (Et3P)3(H)2Ir[Si(H)Cl(C6H3-Mes2-2,6)] and the generation of the cationic iridium(III)-silylene complex: [(Et3P)3(H)2IrSi(H)(C6H3-Mes2-2,6)][B(C6F5)4]

  摘要：

  The oxidative addition reaction of (Et3P)(3)IrCl with H3Si(C6H3-Mes(2)-2,6) (Mes = 2,4,6-trimethylphenyl) affords the sterically hindered iridium(III)-silyl complex (Et3P)(3)(H)(2)Ir[Si(H)Cl(C6H3-Mes(2)-2,6)] (1) via a H/Cl exchange reaction at silicon. Complex 1 is characterized by H-1-, C-13-, P-31-, and Si-29-NMR and IR spectroscopy. The solid state structure of 1 is determined by X-ray crystallography. Complex 1 undergoes a halide abstraction reaction with LiB(C6F5)(4)(OEt2) to afford the cationic iridium(III)silylene complex [(Et3P)(3)(H)(2)Ir = Si(H)(C6H3-Mes(2)-2,6)][B(C6F5)(4)] (4). Complex 4 is characterized by H-1-, C-13-, P-31-, and Si-29-NMR spectroscopy. (C) 2002 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s0022-328x(02)01374-8
• 作为产物：
  描述：

  [IrCl(PEt3)3] 、 H3Si(C6H3-Mes2-2,6) 以 四氢呋喃 为溶剂， 以63%的产率得到
  参考文献：
  名称：

  Synthesis and characterization of the sterically hindered iridium(III)–silyl complex: (Et3P)3(H)2Ir[Si(H)Cl(C6H3-Mes2-2,6)] and the generation of the cationic iridium(III)-silylene complex: [(Et3P)3(H)2IrSi(H)(C6H3-Mes2-2,6)][B(C6F5)4]

  摘要：

  The oxidative addition reaction of (Et3P)(3)IrCl with H3Si(C6H3-Mes(2)-2,6) (Mes = 2,4,6-trimethylphenyl) affords the sterically hindered iridium(III)-silyl complex (Et3P)(3)(H)(2)Ir[Si(H)Cl(C6H3-Mes(2)-2,6)] (1) via a H/Cl exchange reaction at silicon. Complex 1 is characterized by H-1-, C-13-, P-31-, and Si-29-NMR and IR spectroscopy. The solid state structure of 1 is determined by X-ray crystallography. Complex 1 undergoes a halide abstraction reaction with LiB(C6F5)(4)(OEt2) to afford the cationic iridium(III)silylene complex [(Et3P)(3)(H)(2)Ir = Si(H)(C6H3-Mes(2)-2,6)][B(C6F5)(4)] (4). Complex 4 is characterized by H-1-, C-13-, P-31-, and Si-29-NMR spectroscopy. (C) 2002 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s0022-328x(02)01374-8