2-(4,5-dimethoxy-2-vinylphenyl)cyclobutanone | 853996-16-4

• 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: 2-(4,5-dimethoxy-2-vinylphenyl)cyclobutanone
• 英文别名: 2-(2-Ethenyl-4,5-dimethoxyphenyl)cyclobutan-1-one
• CAS: 853996-16-4
• 化学式: C₁₄H₁₆O₃
• 分子量: 232.279
• InChiKey: BYHLQFMUZMHXQC-UHFFFAOYSA-N

物化性质

• 沸点：
  365.6±42.0 °C(Predicted)
• 密度：
  1.129±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  17
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  35.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-(4,5-dimethoxy-2-vinylphenyl)cyclobutanone 在 ytterbium(III) triflate 作用下， 以 氯苯 为溶剂， 反应 10.0h， 以85%的产率得到2,3-dimethoxy-9,10-dihydrobenzocycloocten-7(8H)-one
  参考文献：
  名称：

  Acids Direct 2-Styrylcyclobutanone into Two Distinctly Different Reaction Pathways

  摘要：

  Two structurally distinct carbocycles were selectively obtained by the reactions of 2-(o-styryl)cyclobutanones promoted by ytterbium salts. Treatment of the cyclobutanones with YbCl3 in 1,4-dioxane at 100 degrees C afforded 2-(2-chloroethyl)naphthalenes. On the other hand, the reaction with Yb(OTf)(3) in chlorobenzene at 130 degrees C gave 9,10-dihydrobenzocycloocten-7(8H)-ones.

  DOI：

  10.1021/ol0506922
• 作为产物：
  描述：

  1-cyclopropylidenemethyl-4,5-dimethoxy-2-vinylbenzene 在 间氯过氧苯甲酸 、 tetrafluoroboric acid 作用下， 以 二氯甲烷 为溶剂， 反应 17.0h， 以42%的产率得到2-(4,5-dimethoxy-2-vinylphenyl)cyclobutanone
  参考文献：
  名称：

  Acids Direct 2-Styrylcyclobutanone into Two Distinctly Different Reaction Pathways

  摘要：

  Two structurally distinct carbocycles were selectively obtained by the reactions of 2-(o-styryl)cyclobutanones promoted by ytterbium salts. Treatment of the cyclobutanones with YbCl3 in 1,4-dioxane at 100 degrees C afforded 2-(2-chloroethyl)naphthalenes. On the other hand, the reaction with Yb(OTf)(3) in chlorobenzene at 130 degrees C gave 9,10-dihydrobenzocycloocten-7(8H)-ones.

  DOI：

  10.1021/ol0506922