[m-(HOMe2CCC)C6H4]2PPh | 1240453-71-7

• 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: [m-(HOMe2CCC)C6H4]2PPh
• 英文别名: 4-[3-[[3-(3-Hydroxy-3-methylbut-1-ynyl)phenyl]-phenylphosphanyl]phenyl]-2-methylbut-3-yn-2-ol；4-[3-[[3-(3-hydroxy-3-methylbut-1-ynyl)phenyl]-phenylphosphanyl]phenyl]-2-methylbut-3-yn-2-ol
• CAS: 1240453-71-7
• 化学式: C₂₈H₂₇O₂P
• 分子量: 426.495
• InChiKey: IXGYWYCVCUKTDH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  31
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  40.5
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  [m-(HOMe2CCC)C6H4]2PPh 在 potassium hydroxide 作用下， 以 甲苯 为溶剂， 反应 1.0h， 以80%的产率得到[m-(HCC)C6H4]2PPh
  参考文献：
  名称：

  Synthesis of new triphenylphosphines with pending ethynyl substituents

  摘要：

  The straightforward isolation and characterization of new triphenylphosphines possessing a pendent ethynyl substituent on one or several peripheral aryl ring(s) are reported. The synthesis of this family of compounds is achieved by retro-Favorsky reactions from the corresponding propargylic alcohol derivatives, themselves obtained following a classic Sonogashira-type coupling between the ad hoc bromophenyl phosphines and 2-methylbut-3-yn-2-ol. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2010.05.055
• 作为产物：
  描述：

  (m-Br-C6H4)2PPh 、 2-甲基-3-丁炔-2-醇 在 bis-triphenylphosphine-palladium(II) chloride 、 copper(l) iodide 、 二异丙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 48.0h， 以75%的产率得到[m-(HOMe2CCC)C6H4]2PPh
  参考文献：
  名称：

  Synthesis of new triphenylphosphines with pending ethynyl substituents

  摘要：

  The straightforward isolation and characterization of new triphenylphosphines possessing a pendent ethynyl substituent on one or several peripheral aryl ring(s) are reported. The synthesis of this family of compounds is achieved by retro-Favorsky reactions from the corresponding propargylic alcohol derivatives, themselves obtained following a classic Sonogashira-type coupling between the ad hoc bromophenyl phosphines and 2-methylbut-3-yn-2-ol. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2010.05.055