Diethyl 2-[2-benzoyl-1-(4-methoxyphenyl)pent-4-enyl]propanedioate | 1428901-60-3

• 分子结构分类: 有机化合物 - 木脂素、新木脂素和相关化合物
• 英文名称: Diethyl 2-[2-benzoyl-1-(4-methoxyphenyl)pent-4-enyl]propanedioate
• 英文别名: diethyl 2-[2-benzoyl-1-(4-methoxyphenyl)pent-4-enyl]propanedioate
• CAS: 1428901-60-3
• 化学式: C₂₆H₃₀O₆
• 分子量: 438.521
• InChiKey: ROALHCLQYKJTAH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.1
• 重原子数：
  32
• 可旋转键数：
  14
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  78.9
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  Diethyl 2-[2-benzoyl-1-(4-methoxyphenyl)pent-4-enyl]propanedioate 在 碘 作用下， 以 二甲基亚砜 为溶剂， 反应 2.0h， 以90%的产率得到ethyl 4-(4-methoxyphenyl)-2-oxo-6-phenyl-2H-pyran-3-carboxylate
  参考文献：
  名称：

  First Iodine-Catalyzed Deallylation of Reactive Allyl Methylene Esters

  摘要：

  C-Allyl cleavage has been developed using the inexpensive and mild reagent iodine in dimethylsulfoxide. A variety of compounds with active methylene groups were C-deallylated using this reagent. This method is efficient and operationally simple in comparison to the methods using transition-metal complexes. Supplemental materials are available for this article. Go to the publisher's online edition of Synthetic Communications (R) to view the free supplemental file.

  DOI：

  10.1080/00397911.2012.682245

文献信息

• First Iodine-Catalyzed Deallylation of Reactive Allyl Methylene Esters
  作者：Beena R. Nawghare、Pradeep D. Lokhande

  DOI：10.1080/00397911.2012.682245

  日期：2013.7.18

  C-Allyl cleavage has been developed using the inexpensive and mild reagent iodine in dimethylsulfoxide. A variety of compounds with active methylene groups were C-deallylated using this reagent. This method is efficient and operationally simple in comparison to the methods using transition-metal complexes. Supplemental materials are available for this article. Go to the publisher's online edition of Synthetic Communications (R) to view the free supplemental file.