(Ph3 P)B(p-C6F4H)3 | 1239667-45-8

• 英文名称: (Ph3 P)B(p-C6F4H)3
• 英文别名: B(p-C6F4H)3(PPh3)
• CAS: 1239667-45-8
• 化学式: C₃₆H₁₈BF₁₂P
• 分子量: 720.305
• InChiKey: NDQVXMUBDZJNCQ-UHFFFAOYSA-N

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

• 作为产物：
  描述：

  (Et2O)B(p-C6F4H)3 以 四氢呋喃 、 正戊烷 为溶剂， 生成 (Ph3 P)B(p-C6F4H)3
  参考文献：
  名称：

  Dihydrogen Activation by B(p-C₆F₄H)₃ and Phosphines

  摘要：

  The Grignard reagent (p-C6F4H)MgCl was used to prepare (Et2O)B(p-C6F4H)(3) (2) and the free borane B(p-C6F4H)(3) (1). On the basis of Lewis acidity tests, the borane 1 exhibits ca. 95% of the acidity of B(C6F5)(3). 1 forms classical adducts with ethers and phosphines of the general formula (L)B(p-C6F4H)(3) (L = Et2O (2), THF (3), Me3P (4), Et3P (5), i-Pr-2(H)P (6), Ph3P (7), (3,5-M Me2C6H3)(3)P (8), t-Bu-2(H)P (9), and Cy3P (10)). Compounds 9 and 10 react with 4 atm of H-2 to give the salts [t-Bu2PH2][HB(p-C6F4H)(3)] (11) and [Cy3PH][HB(p-C6F4H)(3)] (12). The sterically demanding phosphines R3P (R = t-Bu, i-Pr, 2,4,6-Me3C6H2, and 2-MeC6H4), R2R'P (R, R' = t-Bu, i-Pr and t-Bu, Cy), and (Ph2CH)R2P (R = t-Bu (22), i-Pr (23), Cy (24), and C5H9 (25)) show no evidence of adduct formation with 1, but react with 142 to give the corresponding salts [R3PH][HB(p-C6F4H)(3)] (13-16), [R2R'PH][HB(p-C6F4H)(3)] (17-20), and [(Ph2CH)R2PH][HB(p-C6F4H)(3)] (26-29), respectively. The [t-Bu2PH2](+) species 11 is stable only under an H-2 overpressure, while the [t-Bu3PH](+) salt 13 cleanly extrudes isobutene and H-2 at elevated temperatures to give 9. The [(2-MeC6H4)(3)PH](+) derivative 16 readily liberates H-2 under vacuum, thus providing a metal-free system capable of reversible H, uptake and release. Crystallographic data for compounds 1, 5, 8, 9, 10, 13, and 26 are reported.

  DOI：

  10.1021/om100563m