Ir(H)(η(2)-CH2CMe2P(t)BuPh)(F)(P(t)Bu2Ph) | 186898-20-4

• 英文名称: Ir(H)(η(2)-CH2CMe2P(t)BuPh)(F)(P(t)Bu2Ph)
• CAS: 186898-20-4
• 化学式: C₂₈H₄₆FIrP₂
• 分子量: 655.839
• InChiKey: UHCINZGNAUMVOR-UHFFFAOYSA-M

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：

  Ir(H)(η(2)-CH2CMe2P(t)BuPh)(F)(P(t)Bu2Ph) 、 三氟甲磺酸三甲基硅酯 以 氘代苯 为溶剂， 生成 Ir(H)(η(2)-CH2CMe2P(t)BuPh)(OTf)(P(t)Bu2Ph)
  参考文献：
  名称：

  Silyl reagents (Me3Si-X) efficiently transfer X to Ir(H)2F(PtBuP2Ph)2

  摘要：

  Me3Si-X reagents react to completion at 25 degrees C in a short time to convert Ir(H)(2)FL2 (L = (PBu2Ph)-Bu-t) to Ir(H)(2)XL2. This involves formation of Ir-O, Ir-N, Ir-I, Ir-S and Ir-C(sp) bonds. Products include some pi(2)-X ligands such as carboxylate and acetamide, NHC(O)CH3. The acetamide is shown to be pi(2) in the solid state and in solution, but readily rearranges, by a transition state with Ir-O bond cleavage, to effect site exchange of the two inequivalent hydrides. The same synthetic approach succeeds for the more crowded metallated species and these reactions are shown to fail when F is replaced by Cl in the iridium reagent. Unsaturation at Ir is suggested to be central to the mechanism of these F/X transposition reactions. (C) 1998 Elsevier Science S.A.

  DOI：

  10.1016/s0020-1693(97)05851-9
• 作为产物：
  描述：

  Ir(H)2F(P(t)Bu2Ph)2 在 1-hexene 作用下， 生成 Ir(H)(η(2)-CH2CMe2P(t)BuPh)(F)(P(t)Bu2Ph) 、 IrH(η(2)-C6H4P(t)Bu2)(F)(P(t)Bu2Ph)
  参考文献：
  名称：

  Fluoro-Ligand Promotion of C−H Activation

  摘要：

  Ethylene dehydrogenates Ir(H)(2)FL(2) (L = P-t-Bu(2)Ph) to give the metalated species 1 and 2. These metalated species catalyze the exchange of deuterium from C6D6 to ethylene, and to (t)Bu and ortho phenyl sites of coordinated L. This exchange is proposed to benefit from pi-donation from F to Ir.

  DOI：

  10.1021/om9605488