(3-methyl-4-(tri-o-tolylphosphonio)buta-1,2-dien-1-yl)tris(perfluorophenyl)borate | 1632119-47-1

• 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: (3-methyl-4-(tri-o-tolylphosphonio)buta-1,2-dien-1-yl)tris(perfluorophenyl)borate
• CAS: 1632119-47-1
• 化学式: C₄₄H₂₇BF₁₅P
• 分子量: 882.459
• InChiKey: CYCFMVXLNVUGBV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.8
• 重原子数：
  61.0
• 可旋转键数：
  9.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  0.0
• 氢给体数：
  0.0
• 氢受体数：
  0.0

反应信息

• 作为产物：
  描述：

  三(五氟苯基)硼烷 、 三(邻甲基苯基)磷 、 2-甲基-1-丁烯-3-炔 以 二氯甲烷-D2 为溶剂， 反应 24.0h， 以20%的产率得到[(1E)-3-methyl-2-tris(2-methylphenyl)phosphaniumylbuta-1,3-dienyl]-tris(2,3,4,5,6-pentafluorophenyl)boranuide
  参考文献：
  名称：

  Formation of Allenes by 1,4-Addition of Intermolecular Phosphane/Borane Frustrated Lewis Pairs to a Conjugated Enyne

  摘要：

  The t-Bu3P/B(C6F5)(3) frustrated Lewis pair (6a) undergoes competing acetylene deprotonation (to give the phosphonium-alkenylborate salt 8) and 1,4-P/B FLP addition to the conjugated enyne 2-methylbutenyne to yield the zwitterionic allene derivative 9a. The less basic (o-tolyl)(3)P/B(C6F5)(3) system (6b) avoids the acetylene deprotonation pathway. The zwitterionic allene derivative 9b formed by 1,4-P/B FLP addition to the enyne is again a prominent reaction product; here competing 1,2-addition is observed to give the olefinic product 10. The allene derivatives 9a and 9b and their competing products 8 and 10 were characterized by X-ray diffraction.

  DOI：

  10.1055/s-0033-1341071