3-(2-Nitrophenyl)but-2-enal | 1567408-59-6

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 肉桂醛
• 英文名称: 3-(2-Nitrophenyl)but-2-enal
• CAS: 1567408-59-6
• 化学式: C₁₀H₉NO₃
• 分子量: 191.186
• InChiKey: RDSAHBDHXDMFFQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  14.0
• 可旋转键数：
  3.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  60.21
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  2,6-二甲基-2,5-环己二烯-1,4-二酮 、 3-(2-Nitrophenyl)but-2-enal 在 (2R)-2-[二苯基[(三甲基硅酯)氧基]甲基]-吡咯烷 、 邻氟苯甲酸 作用下， 以 氘代氯仿 为溶剂， 反应 24.0h， 以55%的产率得到
  参考文献：
  名称：

  二烯胺与醌的有机催化对映选择性环加成反应

  摘要：

  匹配的催化剂和底物：二烯胺和1,4-苯并或1,4-萘醌之间的有机催化环加成反应提供了生物学上令人感兴趣的二氢萘和二氢蒽醌核心结构。该新反应的对映选择性是通过空间屏蔽催化剂和精心选择的底物来确保的，该底物由于两性离子中间体中的静电相互作用而极大地支持了内切法（参见方案）。

  DOI：

  10.1002/chem.201303526

文献信息

• COMPOUNDS, COMPOSITIONS AND METHODS OF USE FOR NICOTINE CESSATION AND CHEMOPREVENTION
  申请人：PACIFIC UNIVERSITY

  公开号：US20200129449A1

  公开（公告）日：2020-04-30

  Compounds, compositions, and methods of use of such compounds and compositions are provided for reducing human dependency to nicotine. In one example, a method of treating an individual with an addiction to nicotine comprises administering to the individual a compound that is a structural analog of trans-cinnamaldehyde. Based on the administration, a rate at which nicotine is metabolized may be reduced, which in turn may reduce a desire for the individual to consume nicotine-containing products.
• CINNAMALDEHYDE DERIVATIVE COMPOUNDS AND METHODS OF USE FOR CINNAMALDEHYDE DERIVATIVE COMPOUNDS NICOTINE CESSATION
  申请人：Pacific University.

  公开号：US20220142946A1

  公开（公告）日：2022-05-12

  Compounds, compositions, and methods of use of such compounds and compositions are provided for reducing human dependency to nicotine. In one example, a method of treating an individual with an addiction to nicotine comprises administering to the individual a compound that is a structural analog of trans-cinnamaldehyde. Based on the administration, a rate at which nicotine is metabolized may be reduced, which in turn may reduce a desire for the individual to consume nicotine-containing products.