| 1312214-04-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• CAS: 1312214-04-2
• 化学式: C₁₂H₂₇P*C₂₆H₁₉BF₁₄P*H
• 分子量: 842.527
• InChiKey: RWUCUQRSJBNSAA-UHFFFAOYSA-O

计算性质

• 辛醇/水分配系数(LogP)：
  11.56
• 重原子数：
  55.0
• 可旋转键数：
  4.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.53
• 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：

  [para-(F5C6)2B-C6F4-P(H)t-Bu2][B(C6F5)4] 、 以 二氯甲烷 为溶剂， 生成 (4-di(tert-butyl)phosphonium-2,3,5,6-tetrafluorophenyl)bis(pentafluorophenyl)borohydride 、 [(t-Bu)2PC6F4B(C6F5)2] 、 [P(H)t-Bu2][B(C6F5)4]
  参考文献：
  名称：

  Dihydrogen Activation with ^tBu₃P/B(C₆F₅)₃: A Chemically Competent Indirect Mechanism via in Situ-Generated p-^tBu₂P–C₆F₄–B(C₆F₅)₂

  摘要：

  A chemically competent indirect pathway for the activation of dihydrogen by the nonmetal Lewis acid/Lewis base pair (Bu3P)-Bu-t/B(C6F5)(3) is described. The reaction between (Bu3P)-Bu-t and B(C6F5)(3) produces [(Bu3PH)-Bu-t](+)[FB(C6F5)(3)](-) and the known phosphinoborane p-(Bu2P)-Bu-t-C6F4-B(C6F5)(2) (1-Bu-t) with elimination of isobutylene. At 1:1 stoichiometry, 1-Bu-t is produced rapidly in detectable quantities and can act as a catalyst for the formation of [(Bu3PH)-Bu-t](+)[HB(C6F5)(3)](-) from (Bu3P)-Bu-t and B(C6F5)(3) in the presence of H-2. The extent to which this indirect path competes with the direct path is explored.

  DOI：

  10.1021/ja203214f
• 作为产物：
  描述：

  [(t-Bu)2PC6F4B(C6F5)2] 、 三叔丁基膦 在 氢气 作用下， 以 C₆D₅Br 为溶剂， -196.16~20.0 ℃ 、405.33 kPa 条件下， 生成
  参考文献：
  名称：

  Dihydrogen Activation with ^tBu₃P/B(C₆F₅)₃: A Chemically Competent Indirect Mechanism via in Situ-Generated p-^tBu₂P–C₆F₄–B(C₆F₅)₂

  摘要：

  A chemically competent indirect pathway for the activation of dihydrogen by the nonmetal Lewis acid/Lewis base pair (Bu3P)-Bu-t/B(C6F5)(3) is described. The reaction between (Bu3P)-Bu-t and B(C6F5)(3) produces [(Bu3PH)-Bu-t](+)[FB(C6F5)(3)](-) and the known phosphinoborane p-(Bu2P)-Bu-t-C6F4-B(C6F5)(2) (1-Bu-t) with elimination of isobutylene. At 1:1 stoichiometry, 1-Bu-t is produced rapidly in detectable quantities and can act as a catalyst for the formation of [(Bu3PH)-Bu-t](+)[HB(C6F5)(3)](-) from (Bu3P)-Bu-t and B(C6F5)(3) in the presence of H-2. The extent to which this indirect path competes with the direct path is explored.

  DOI：

  10.1021/ja203214f