2-[2,2-Bis(2,3,4,5,6-pentafluorophenyl)-1,1-diphenyl-4-trimethylsilyl-1-phosphonia-2-boranuidacyclobut-3-en-3-yl]ethyl-bis(2,4,6-trimethylphenyl)phosphane | 1613321-83-7

• 分子结构分类: 有机化合物 - 有机卤素化合物 - 芳基卤化物
• 英文名称: 2-[2,2-Bis(2,3,4,5,6-pentafluorophenyl)-1,1-diphenyl-4-trimethylsilyl-1-phosphonia-2-boranuidacyclobut-3-en-3-yl]ethyl-bis(2,4,6-trimethylphenyl)phosphane
• CAS: 1613321-83-7
• 化学式: C₄₉H₄₅BF₁₀P₂Si
• 分子量: 924.724
• InChiKey: IBJOWXSRUSQDRH-UHFFFAOYSA-N

物化性质

• 熔点：
  121 °C

计算性质

• 辛醇/水分配系数(LogP)：
  11.86
• 重原子数：
  63
• 可旋转键数：
  10
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  11

反应信息

• 作为反应物：
  描述：

  2-[2,2-Bis(2,3,4,5,6-pentafluorophenyl)-1,1-diphenyl-4-trimethylsilyl-1-phosphonia-2-boranuidacyclobut-3-en-3-yl]ethyl-bis(2,4,6-trimethylphenyl)phosphane 在 1,2,3,4,5,6,7,8-八硫杂环辛烷 作用下， 以 甲苯 为溶剂， 反应 48.0h， 以280 mg的产率得到2-[2,2-Bis(2,3,4,5,6-pentafluorophenyl)-1,1-diphenyl-4-trimethylsilyl-1-phosphonia-2-boranuidacyclobut-3-en-3-yl]ethyl-sulfanylidene-bis(2,4,6-trimethylphenyl)-lambda5-phosphane
  参考文献：
  名称：

  Frustrated Lewis Pair Modification by 1,1-Carboboration: Disclosure of a Phosphine Oxide Triggered Nitrogen Monoxide Addition to an Intramolecular P/B Frustrated Lewis Pair

  摘要：

  The vicinal frustrated Lewis pair (FLP) mes2P-CH2CH2-B(C6F5)2 (3) reacts with phenyl(trimethylsilyl)acetylene by 1,1-carboboration to give the extended C3-bridged FLP 6 featuring a substituted vinylborane subunit. The FLP 6 actively cleaves dihydrogen. The FLP 3 also undergoes a 1,1-carboboration reaction with diphenylphosphino(trimethylsilyl)acetylene to give the P/B/P FLP 11 that features a central unsaturated four-membered heterocyclic P/B FLP and a pendant CH2CH2-Pmes2 functional group. Compound 11 reacts with nitric oxide (NO) by oxidation of the pendant Pmes2 unit to the P(O)mes2 phosphine oxide and N,N-addition of the P/B FLP unit to NO to yield the persistent P/B/PO FLPNO aminoxyl radical 14. This reaction is initiated by P(O)mes2 formation and opening of the central Ph2P···B(C6F5)2 linkage triggered by the pendant CH2CH2-P(O)mes2 group.

  DOI：

  10.1021/ja5028293
• 作为产物：
  描述：

  以 甲苯 为溶剂， 生成 2-[2,2-Bis(2,3,4,5,6-pentafluorophenyl)-1,1-diphenyl-4-trimethylsilyl-1-phosphonia-2-boranuidacyclobut-3-en-3-yl]ethyl-bis(2,4,6-trimethylphenyl)phosphane
  参考文献：
  名称：

  Frustrated Lewis Pair Modification by 1,1-Carboboration: Disclosure of a Phosphine Oxide Triggered Nitrogen Monoxide Addition to an Intramolecular P/B Frustrated Lewis Pair

  摘要：

  The vicinal frustrated Lewis pair (FLP) mes2P-CH2CH2-B(C6F5)2 (3) reacts with phenyl(trimethylsilyl)acetylene by 1,1-carboboration to give the extended C3-bridged FLP 6 featuring a substituted vinylborane subunit. The FLP 6 actively cleaves dihydrogen. The FLP 3 also undergoes a 1,1-carboboration reaction with diphenylphosphino(trimethylsilyl)acetylene to give the P/B/P FLP 11 that features a central unsaturated four-membered heterocyclic P/B FLP and a pendant CH2CH2-Pmes2 functional group. Compound 11 reacts with nitric oxide (NO) by oxidation of the pendant Pmes2 unit to the P(O)mes2 phosphine oxide and N,N-addition of the P/B FLP unit to NO to yield the persistent P/B/PO FLPNO aminoxyl radical 14. This reaction is initiated by P(O)mes2 formation and opening of the central Ph2P···B(C6F5)2 linkage triggered by the pendant CH2CH2-P(O)mes2 group.

  DOI：

  10.1021/ja5028293