| 1400787-25-8

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 直链 1,3-二芳基丙烷
• CAS: 1400787-25-8
• 化学式: C₁₈H₁₈O₄
• 分子量: 298.339
• InChiKey: WYXTXHMLRRKQJQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  22.0
• 可旋转键数：
  6.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  55.76
• 氢给体数：
  1.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  2-碘联苯 、 在 palladium diacetate 、 sodium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 12.0h， 以68%的产率得到(10-(4-ethoxy-3-methoxyphenyl)phenanthren-9-yl)(2-hydroxyphenyl)methanone
  参考文献：
  名称：

  钯通过邻基团协助使2-碘联苯与非末端烯烃环化。

  摘要：

  在这项工作中，开发了一种有效的钯催化2-碘联苯与非末端烯烃的环化反应。该转变的关键因素是形成高反应性的羰基-Paladacycle中间体，该中间体可通过相邻的羟基来实现，并显着抑制了β-H的消除过程。从机理上讲，对照实验证明羟基可以充当阴离子配体，在该反应中是不可替代的。该转化表现出良好的反应性和选择性，并且对于所有探索的底物均未检测到简单的Heck偶联产物。

  DOI：

  10.1039/d0cc07133a
• 作为产物：
  描述：

  2'-羟基苯乙酮 、 4-乙氧基-3-甲氧基苯甲醛 在 sodium hydroxide 作用下， 以 乙醇 为溶剂， 生成
  参考文献：
  名称：

  Synthesis and biological evaluation of novel pyrimidine-2(1H)-ones/thiones as potent anti-inflammatory and anticancer agents

  摘要：

  Recently there has been an increased interest in the synthesis of pyrimidinone and their applications in medicinal chemistry. Pyrimidinone derivatives represent one of the active classes of the compounds possessing a wide spectrum of biological activities such as anti-tumour, anti-fungal, anti-inflammatory, anti-bacterial, etc. This study utilises chalcones as starting compounds that are obtained by Claisen-Schmidt condensation. These chalcones underwent cyclisation upon treatment with urea and thiourea in the presence of sodium hydroxide to obtain the corresponding pyrimidinones and pyrimidinethiones. The structures of the synthesized compounds were investigated by means of UV, IR, H-1 NMR and Mass spectral analysis. The anti-oxidant activity of the compounds was measured by standard free radical scavenging assays (DPPH, Nitric oxide radicals). The compounds with significant anti-oxidant activity were then screened for the in vivo anti-inflammatory activity and it showed that the compounds ETT and DMT possess good activity as comparable to the standard. All the synthesized compounds were evaluated for their in vitro anti-cancer activity by MTT assay among which compounds CLU and ETU showed significant activity against HeLa and HepG(2) cell lines, respectively.

  DOI：

  10.1007/s00044-011-9909-5