1-(3,7-Dimethyloctoxy)-4-[2-[4-[2-(4-methoxyphenyl)ethynyl]phenyl]ethynyl]benzene | 1510838-22-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 1-(3,7-Dimethyloctoxy)-4-[2-[4-[2-(4-methoxyphenyl)ethynyl]phenyl]ethynyl]benzene
• 英文别名: 1-(3,7-dimethyloctoxy)-4-[2-[4-[2-(4-methoxyphenyl)ethynyl]phenyl]ethynyl]benzene
• CAS: 1510838-22-8
• 化学式: C₃₃H₃₆O₂
• 分子量: 464.648
• InChiKey: YNFOTZVXAWJGFP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10
• 重原子数：
  35
• 可旋转键数：
  13
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  18.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  ((4-甲氧基苯基)乙炔基)二苯基膦 在 potassium tert-butylate 、 双氧水 作用下， 以 四氢呋喃 、 水 为溶剂， 反应 36.0h， 生成 1-(3,7-Dimethyloctoxy)-4-[2-[4-[2-(4-methoxyphenyl)ethynyl]phenyl]ethynyl]benzene
  参考文献：
  名称：

  One-Pot Transformation of Ph₂P(O)-Protected Ethynes: Deprotection Followed by Transition Metal-Catalyzed Coupling

  摘要：

  Ph2P(O)-protected ethynes were successfully transformed to arylethynes in one-pot manner through t-BuOK-catalyzed deprotection followed by Sonogashira coupling with aryl halide. The arylethynes were obtained similarly by Ph2P(O)-deprotection, stannylation of the resulting terminal ethynes, and Migita-Kosugi-Stille coupling. Deprotection followed by intramolecular Eglinton coupling could be carried out in one-pot to provide cyclic butadiynes.

  DOI：

  10.1021/jo402176w

文献信息

• One-Pot Transformation of Me₃Si-/Ph₂P(O)-Protected Ethynes to Unsymmetrical Arylethynes
  作者：Li-fen Peng、Jia-ying Lei、Li Wu、Zi-long Tang、Zhi-peng Luo、Yin-chun Jiao、Xin-hua Xu

  DOI：10.3184/174751918x15269925671284

  日期：2018.6

  Me₃Si-/Ph₂P(O)-protected ethynes were successfully transformed to unsymmetrical arylethynes via a one-pot Ph₂P(O)-deprotection/ [Pd(dppf)Cl₂]-catalysed coupling and one-pot Me₃Si-deprotection/Sonogashira coupling under mild conditions and in high yield. Unsymmetrical phenylethynes, unsymmetrical extended phenylene ethynylenes and unsymmetrical anthrylethynes were successfully synthesised in good to excellent yields.

  在温和的条件下，通过一锅 Ph2P(O)-脱保护/[Pd(dppf)Cl2]-催化偶联和一锅 Me3Si-Deprotection/Sonogashira 偶联，成功地将 Me3Si-/Ph2P(O)-protected ethynes 转化为非对称的芳炔类化合物，而且收率很高。成功合成了非对称苯乙炔、非对称扩展苯乙炔和非对称蒽乙炔，产率从良好到极佳。