N-(4-苯氧基苯基)异烟酰胺 | 255904-98-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: N-(4-苯氧基苯基)异烟酰胺
• 英文名称: N-(4-Phenoxyphenyl)isonicotinamide
• 英文别名: N-(4-phenoxyphenyl)pyridine-4-carboxamide
• CAS: 255904-98-4
• 化学式: C₁₈H₁₄N₂O₂
• mdl: MFCD03367634
• 分子量: 290.321
• InChiKey: RUPICOJYZCVQSL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  22
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  51.2
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  二苯醚 在 [(2-di-tert-butylphosphino-3,6-dimethoxy-2’,4’,6’-triisopropyl-1,1’-biphenyl)-2-(2’-amino-1,1‘-biphenyl)]palladium(II) methanesulfonate 、 1,8-二氮杂双环[5.4.0]十一碳-7-烯 、 三氟乙酸酐 作用下， 以 四氢呋喃 、 乙腈 为溶剂， 反应 22.0h， 生成 N-(4-苯氧基苯基)异烟酰胺
  参考文献：
  名称：

  通过芳基锍盐进行位点选择性后期多样化的 C-N 交叉偶联

  摘要：

  我们报告了通过直接 CH 功能化在位点选择性形成的芳基铪盐的多种 CN 交叉偶联反应。N-亲核试剂的范围从伯、仲烷基和芳基胺到各种含氮杂环，整体转化适用于复杂的类药物小分子的后期功能化。

  DOI：

  10.1021/jacs.9b07323

文献信息

• Synthesis of Phenoxyphenyl Pyridine and Pyrazine Carboxamides. Activity against <i>Cydia pomonella</i> (L.) Eggs
  作者：Mercè Balcells、Jesús Avilla、Jaume Profitos、Ramon Canela

  DOI：10.1021/jf990404e

  日期：2000.1.1

  Several N-(4-phenoxyphenyl)pyridinecarboxamides and N-(4-phenoxyphenyl)pyrazinecarboxamides were synthesized from commercially available material, and their ovicidal activities against Cydia pomonella (L.) were tested. Some of the tested products showed a moderate activity when <24-h-old eggs were sprayed using a Potter tower. A significant increase in the length of the development also observed in many cases. A clear correlation between both effects was period of the eggs was noticed: the products that produced higher mortality also produced higher increase of the length of the development. These results seem to confirm our hypothesis that these compounds could be defined as a juvenile hormone analogues.
• C–N Cross-Couplings for Site-Selective Late-Stage Diversification via Aryl Sulfonium Salts
  作者：Pascal S. Engl、Andreas P. Häring、Florian Berger、Georg Berger、Alberto Pérez-Bitrián、Tobias Ritter

  DOI：10.1021/jacs.9b07323

  日期：2019.8.28

  We report diverse C-N cross-coupling reactions of aryl thianthrenium salts that are formed site-selectively by direct C-H functionalization. The scope of N-nucleophiles ranges from primary and secondary alkyl and aryl amines to various N-containing heterocycles, and the overall transformation is applicable to late-stage functionalization of complex, drug-like small molecules.

  我们报告了通过直接 CH 功能化在位点选择性形成的芳基铪盐的多种 CN 交叉偶联反应。N-亲核试剂的范围从伯、仲烷基和芳基胺到各种含氮杂环，整体转化适用于复杂的类药物小分子的后期功能化。