1,1'-(But-1-en-3-yne-1,4-diyl)bis(4-methoxybenzene) | 1333418-75-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 1,1'-(But-1-en-3-yne-1,4-diyl)bis(4-methoxybenzene)
• 英文别名: 1-methoxy-4-[4-(4-methoxyphenyl)but-1-en-3-ynyl]benzene
• CAS: 1333418-75-9
• 化学式: C₁₈H₁₆O₂
• 分子量: 264.324
• InChiKey: ZXJWFXWCDJZTRS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  20
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.11
• 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-乙炔基苯甲醚 在 palladium diacetate 、 三苯基膦 作用下， 以 四氢呋喃 为溶剂， 反应 6.0h， 生成 1,3,5-三(4-甲氧基苯基)苯 、 1,1'-(But-1-en-3-yne-1,4-diyl)bis(4-methoxybenzene) 、 1,2,4-tris(4-methoxyphenyl)benzene 、 4,4'-(but-3-en-1-yne-1,3-diyl)bis(methoxybenzene)
  参考文献：
  名称：

  Palladium-catalyzed acylation and/or homo-coupling of aryl- and alkyl-acetylenes

  摘要：

  Allyl or benzyl halides, through a Pd(0)-catalyzed reaction and under CO pressure, generate acyl-palladium/halides that, in the presence of a base and an aryl- and alkyl-acetylene, undergo nucleophilic acyl substitution giving conjugated acetylenic ketones. Diynes, resulting from allcyne/alkyne homo-coupling, were instead the main products in reactions performed without allyl or benzyl halides. Moreover, dimerization, trimerization, and cyclotrimerization reactions of acetylenes were observed in reaction carried out even without base. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2011.07.032

文献信息

• Palladium-catalyzed acylation and/or homo-coupling of aryl- and alkyl-acetylenes
  作者：Serena Perrone、Fabio Bona、Luigino Troisi

  DOI：10.1016/j.tet.2011.07.032

  日期：2011.9

  Allyl or benzyl halides, through a Pd(0)-catalyzed reaction and under CO pressure, generate acyl-palladium/halides that, in the presence of a base and an aryl- and alkyl-acetylene, undergo nucleophilic acyl substitution giving conjugated acetylenic ketones. Diynes, resulting from allcyne/alkyne homo-coupling, were instead the main products in reactions performed without allyl or benzyl halides. Moreover, dimerization, trimerization, and cyclotrimerization reactions of acetylenes were observed in reaction carried out even without base. (C) 2011 Elsevier Ltd. All rights reserved.