3-[(2-piperidin-1-ylpyrimidin-5-yl)ethynyl]benzonitrile

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 3-[(2-piperidin-1-ylpyrimidin-5-yl)ethynyl]benzonitrile
• 英文别名: 3-[2-(2-piperidin-1-ylpyrimidin-5-yl)ethynyl]benzonitrile
• 化学式: C₁₈H₁₆N₄
• 分子量: 288.352
• InChiKey: AEDUBAWPTWSJHM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  22
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  52.8
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  5-ethynyl-2-(piperidin-1-yl)pyrimidine 、 间碘苯腈 在 四(三苯基膦)钯 copper(l) iodide 、 三乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 4.0h， 生成 3-[(2-piperidin-1-ylpyrimidin-5-yl)ethynyl]benzonitrile
  参考文献：
  名称：

  WO2006/115895

  摘要：

  公开号：

文献信息

• Phenyl ethyne compounds
  申请人：Cosford Nicholas D.

  公开号：US20090306115A1

  公开（公告）日：2009-12-10

  In accordance with the present invention, there is provided a novel class of heterocyclic compounds. Compounds of the invention contain a substituted or unsubstituted six membered heterocyclic ring that includes at least two nitrogen atoms. The ring additionally includes four carbon atoms. The heterocyclic ring has at least one substituent located at a ring position adjacent to a ring nitrogen atom. This mandatory substituent of the ring includes a moiety (B), linked to the heterocyclic ring via a carbon-carbon triple bond. The mandatory substituent is positioned adjacent to the ring nitrogen atom. Invention compounds are capable of a wide variety of uses. For example heterocyclic compounds can act to modulate physiological processes by functioning as agonists and antagonists of receptors in the nervous system. Invention compounds may also act as insecticides, and as fungicides. Pharmaceutical compositions containing invention compounds also have wide utility.

  根据本发明，提供了一类新型的杂环化合物。该发明的化合物包含一个取代或未取代的六元杂环环，其中至少包含两个氮原子。该环还包括四个碳原子。杂环环在靠近环氮原子的环位置上至少有一个取代基。该环的强制性取代基包括一个通过碳-碳三键与杂环环连接的基团（B）。强制性取代基位于环氮原子的相邻位置。本发明的化合物具有各种用途。例如，杂环化合物可以通过作为神经系统受体的激动剂和拮抗剂来调节生理过程。本发明的化合物也可以作为杀虫剂和杀菌剂。含有本发明化合物的药物组合物也具有广泛的用途。
• PHENYL ETHYNE COMPOUNDS
  申请人：Merck & Co., Inc.

  公开号：EP1874724A2

  公开（公告）日：2008-01-09
• [EN] PHENYL ETHYNE COMPOUNDS<br/>[FR] COMPOSES DE PHENYLETHYNE
  申请人：MERCK & CO INC

  公开号：WO2006115895A2

  公开（公告）日：2006-11-02

  [EN] In accordance with the present invention, there is provided a novel class of heterocyclic compounds. Compounds of the invention contain a substituted or unsubstituted six membered heterocyclic ring that includes at least two nitrogen atoms. The ring additionally includes four carbon atoms. The heterocyclic ring has at least one substituent located at a ring position adjacent to a ring nitrogen atom. This mandatory substituent of the ring includes a moiety (B), linked to the heterocyclic ring via a carbon-carbon triple bond. The mandatory substituent is positioned adjacent to the ring nitrogen atom. Invention compounds are capable of a wide variety of uses. For example heterocyclic compounds can act to modulate physiological processes by functioning as agonists and antagonists of receptors in the nervous system. Invention compounds may also act as insecticides, and as fungicides. Pharmaceutical compositions containing invention compounds also have wide utility.
  [FR] L'invention concerne une nouvelle classe de composés hétérocycliques. Les composés de l'invention contiennent un noyau hétérocyclique à six chaînons substitué ou non substitué qui comprend au moins deux atomes d'azote. Le noyau comprend en outre quatre atomes de carbone. Le noyau hétérocyclique présente au moins un substituant situé au niveau d'une position du noyau adjacente à un atome d'azote du noyau. Ledit substituant obligatoire du noyau comprend une fraction (B), liée au noyau hétérocyclique via une liaison triple carbone-carbone. Le substituant obligatoire est positionné de manière adjacente à l'atome d'azote du noyau. Les composés selon l'invention offrent un grand nombre d'utilisations. Par exemple, lesdits composés hétérocycliques peuvent servir à moduler des processus physiologiques en fonctionnant comme des agonistes et des antagonistes de récepteurs du système nerveux. Les composés selon l'invention peuvent également agir en tant qu'insecticides et fongicides. L'invention concerne également des compositions pharmaceutiques contenant les composés de l'invention présentant également une grande utilité.
• WO2006/115895
  申请人：——

  公开号：——

  公开（公告）日：——