bis(di-tert-butyl(phenyl)-l5-phosphaneyl)(isothiocyanato)iridium(V) hydride | 204756-52-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: bis(di-tert-butyl(phenyl)-l5-phosphaneyl)(isothiocyanato)iridium(V) hydride
• CAS: 204756-52-5
• 化学式: C₂₉H₄₈IrNP₂S
• 分子量: 696.94
• InChiKey: DXBNDNPMSJHKAK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 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：

  bis(di-tert-butyl(phenyl)-l5-phosphaneyl)(isothiocyanato)iridium(V) hydride 以 氘代氯仿 、 氘代苯 为溶剂， 生成 Ir(H)2(OTf)(P(t)Bu2Ph)2
  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 、 异硫氢酸三甲基硅酯 以 甲苯 为溶剂， 以97%的产率得到bis(di-tert-butyl(phenyl)-l5-phosphaneyl)(isothiocyanato)iridium(V) hydride
  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