(Z)-4-(4-methoxyphenyl)-4-(2,4,6-trimethylphenyl)but-3-en-2-one | 957125-75-6

• 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: (Z)-4-(4-methoxyphenyl)-4-(2,4,6-trimethylphenyl)but-3-en-2-one
• 英文别名: (z)-4-(4-Methoxyphenyl)-4-(2,4,6-trimethyl-phenyl)but-3-en-2-one
• CAS: 957125-75-6
• 化学式: C₂₀H₂₂O₂
• 分子量: 294.393
• InChiKey: BZIASXQCRVMYSN-UNOMPAQXSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5
• 重原子数：
  22
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  (Z)-4-(4-methoxyphenyl)-4-(2,4,6-trimethylphenyl)but-3-en-2-one 在 氟磺酸 作用下， 反应 1.5h， 以96%的产率得到(Z)-4-(4-methoxyphenyl)-4-(2,4,6-trimethyl-3-fluorosulfonylphenyl)but-3-en-2-one
  参考文献：
  名称：

  Reactions of acetylene ketones in superacids

  摘要：

  Vinyl type cations ArC+=CHCOR generated from acetylene ketones ArC CCOR in superacids HSO3F and CF3SO3H react with diverse benzene derivatives to form alkenylation products, E-/Z-isomers of diarylpropenone structures Ar(Ar')C=CHCOR. The alkenylation of aromatic compounds with acetylene ketones in superacids occurs with the primary syn-addition of a hydrogen and an aryl residue to the acetylene bond followed by transformation of the product into anti-isomer under the conditions of the reaction.

  DOI：

  10.1134/s1070428007050107
• 作为产物：
  描述：

  4-(2,4,6-trimethylphenyl)but-3-yn-2-one 、 苯甲醚 在 氟磺酸 作用下， 反应 0.33h， 以53%的产率得到(Z)-4-(4-methoxyphenyl)-4-(2,4,6-trimethylphenyl)but-3-en-2-one
  参考文献：
  名称：

  Reactions of acetylene ketones in superacids

  摘要：

  Vinyl type cations ArC+=CHCOR generated from acetylene ketones ArC CCOR in superacids HSO3F and CF3SO3H react with diverse benzene derivatives to form alkenylation products, E-/Z-isomers of diarylpropenone structures Ar(Ar')C=CHCOR. The alkenylation of aromatic compounds with acetylene ketones in superacids occurs with the primary syn-addition of a hydrogen and an aryl residue to the acetylene bond followed by transformation of the product into anti-isomer under the conditions of the reaction.

  DOI：

  10.1134/s1070428007050107