2-(2-chloro-4-methoxyphenyl)propionitrile

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 2-(2-chloro-4-methoxyphenyl)propionitrile
• 英文别名: 2-(2-chloro-4-methoxy-phenyl)propionitrile；2-(2-chloro-4-methoxyphenyl)propanenitrile
• 化学式: C₁₀H₁₀ClNO
• 分子量: 195.648
• InChiKey: ASXMGXKRQPPGDC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  33
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  碘甲烷 、 2-(2-chloro-4-methoxyphenyl)propionitrile 在 sodium hydride 作用下， 以 DMF (N,N-dimethyl-formamide) 为溶剂， 反应 18.0h， 以83%的产率得到2-(2-chloro-4-methoxyphenyl)-2-methylpropionitrile
  参考文献：
  名称：

  [EN] AMINO-FUNCTIONAL CHALCONES
  [FR] CHALCONES AMINO-FONCTIONNELLES

  摘要：

  公开号：

  WO2003097575A3
• 作为产物：
  描述：

  4-羟基-2-氯苯乙酮 、 对甲基苯磺酰甲基异腈 在 potassium tert-butylate 作用下， 以 乙二醇二甲醚 、 叔丁醇 为溶剂， 反应 3.0h， 以97%的产率得到2-(2-chloro-4-methoxyphenyl)propionitrile
  参考文献：
  名称：

  [EN] AMINO-FUNCTIONAL CHALCONES
  [FR] CHALCONES AMINO-FONCTIONNELLES

  摘要：

  公开号：

  WO2003097575A3

文献信息

• Amino-functional chalcones
  申请人：Nielsen Feldbaek Simone

  公开号：US20060052600A1

  公开（公告）日：2006-03-09

  The invention provides novel amino-functionalised chalcone derivatives and analogues thereof. Use of the compounds, or compositions comprising them, as pharmaceutically active agents, in particular against bacterial and parasitic infections, is also disclosed. The invention further relates to a method for detecting inhibitory effects against e.g., bacteria, parasites, fungi, and helminths. The chalcones of the invention carry amino substituents and exhibit enhanced biological effects combined with improved metabolic and physicochemical properties, making the compounds useful as drug substances, in particular as antiparasitic, and bacteriocidal agents.

  本发明提供了新型氨基功能化的查尔酮衍生物及其类似物。本发明还揭示了将该化合物或包含其的组合物用作药物活性剂，特别是用于治疗细菌和寄生虫感染。本发明还涉及一种检测抑制细菌、寄生虫、真菌和蠕虫等的方法。本发明的查尔酮具有氨基取代基，具有增强的生物效应和改善的代谢和物理化学性质，使该化合物可用作药物物质，特别是作为抗寄生虫和杀菌剂。
• Diamino-functional chalcones
  申请人：Nielsen Feldbaek Simon

  公开号：US20060235073A1

  公开（公告）日：2006-10-19

  The invention provides novel diamino-functionalised chalcone derivatives and analogues thereof. Use of the compounds, or compositions comprising them, as pharmaceutically active agents, in particular against bacterial and parasitic infections, is also disclosed. The invention further relates to a method for detecting inhibitory effects against e.g., bacteria, parasites, fungi, and helminths. The chalcones of the invention carry amino substituents and exhibit enhanced biological effects combined with improved metabolic and physicochemical properties, making the compounds useful as drug substances, in particular as antiparasitic and bacteriostatic agents.

  本发明提供了新型二氨基官能化查尔酮衍生物及其类似物。本发明还揭示了将这些化合物或包含它们的组合物用作药物活性剂，特别是用于对抗细菌和寄生虫感染。本发明还涉及一种检测抑制对细菌、寄生虫、真菌和蠕虫等的影响的方法。本发明的查尔酮具有氨基取代基，并表现出增强的生物效应和改善的代谢和物理化学性质，使这些化合物在药物物质中有用，特别是作为抗寄生虫和抗菌剂。
• Synthesis of prenylated benzaldehydes and their use in the synthesis of analogues of licochalcone A
  作者：Hasse Kromann、Mogens Larsen、Thomas Boesen、Kristian Schønning、Simon Feldbæk Nielsen

  DOI：10.1016/j.ejmech.2004.07.004

  日期：2004.11

  In this paper, a general applicable synthesis of prenylated aromatic compounds exemplified by prenylated benzaldehydes starting from readily available acetophenones is described. The synthesized benzaldehydes are used to prepare a number of novel analogues of Licochalcone A, a known antibacterial compound, and for the exploration of the pharmacophoric elements that are essential for the antibacterial activity. It is shown that the hydroxyl group in the A ring is essential for the activity and that the hydroxyl group in the B ring has no influence on the antibacterial effect of Licochalcone A. Furthermore, it is shown that the prenyl group at the position 5 of the B ring also has a dominating influence on the activity. This aliphatic group can be replaced by other lipophilic long chained substituents in order to maintain the activity.
• AMINO-FUNCTIONAL CHALCONES
  申请人：Lica Pharmaceuticals A/S

  公开号：EP1506157A2

  公开（公告）日：2005-02-16
• DIAMINO-FUNCTIONAL CHALCONES
  申请人：Lica Pharmaceuticals A/S

  公开号：EP1506158A2

  公开（公告）日：2005-02-16