(2E)-1-[2-(allyloxy)phenyl]-3-(1,3-benzodioxol-5-yl)prop-2-en-1-one

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 肉桂酸及其衍生物
• 英文名称: (2E)-1-[2-(allyloxy)phenyl]-3-(1,3-benzodioxol-5-yl)prop-2-en-1-one
• 英文别名: (E)-3-(1,3-benzodioxol-5-yl)-1-(2-prop-2-enoxyphenyl)prop-2-en-1-one
• 化学式: C₁₉H₁₆O₄
• 分子量: 308.334
• InChiKey: PMIDISUGGRZXRK-VQHVLOKHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  23
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  44.8
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  胡椒醛 、 1-(2-(烯丙氧基)苯基)乙酮 在 sodium hydroxide 作用下， 以 乙醇 为溶剂， 反应 0.33h， 以100%的产率得到(2E)-1-[2-(allyloxy)phenyl]-3-(1,3-benzodioxol-5-yl)prop-2-en-1-one
  参考文献：
  名称：

  Biological and structure-activity evaluation of chalcone derivatives against bacteria and fungi

  摘要：

  The present work describes the antibacterial and antifungal activities of several chalcones obtained by a straight Claisen-Schmidt aldol condensation determined by the minimal inhibitory concentration against different microorganisms (Gram-positive and Gram-negative bacteria and fungi). Solid state crystal structures of seven chalcones were determined by X-ray diffraction (XRD) analysis. Chemometric studies were carried out in order to identify a potential structure-activity relationship.

  DOI：

  10.1590/s0103-50532013000100018

文献信息

• Biological and structure-activity evaluation of chalcone derivatives against bacteria and fungi
  作者：Wender A. Silva、Carlos Kleber Z. Andrade、Hamilton B. Napolitano、Ivo Vencato、Carlito Lariucci、Miriam. R. C. de Castro、Ademir J. Camargo

  DOI：10.1590/s0103-50532013000100018

  日期：——

  The present work describes the antibacterial and antifungal activities of several chalcones obtained by a straight Claisen-Schmidt aldol condensation determined by the minimal inhibitory concentration against different microorganisms (Gram-positive and Gram-negative bacteria and fungi). Solid state crystal structures of seven chalcones were determined by X-ray diffraction (XRD) analysis. Chemometric studies were carried out in order to identify a potential structure-activity relationship.