Acetic acid;3-fluoroaniline | 1255704-37-0

• 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: Acetic acid;3-fluoroaniline
• CAS: 1255704-37-0
• 化学式: C₂H₄O₂*C₆H₆FN
• 分子量: 171.171
• InChiKey: RSTUWOPHGXYYBL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  12
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  63.3
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  Acetic acid;3-fluoroaniline 、 姜黄素 在 montmorillonite K-10 作用下， 反应 0.03h， 以19%的产率得到(E)-1-(3-fluorophenyl)-2-(4-hydroxy-3-methoxyphenyl)-6-(4-hydroxy-3-methoxystyryl)-2,3-dihydropyridin-4(1H)-one
  参考文献：
  名称：

  Microwave-Assisted Synthesis of Novel 2,3-Dihydro-4-Pyridinones

  摘要：

  通过姜黄素与伯胺或胺乙酸酯在微波辐射下反应合成了新型2,3-二氢-4-吡啶酮。使用蒙脱石K-10作为催化剂。反应时间不超过120秒。化合物的结构通过元素分析以及它们的质量、1H-和13C-NMR 谱确定。

  DOI：

  10.3390/molecules15118425

文献信息

• Synthesis of novel 2,3-dihydro-4-pyridinones from bisdemethoxycurcumin under microwave irradiation
  作者：Bahjat A. Saeed、Wisam A. Radhi、Rita S. Elias

  DOI：10.1016/j.tetlet.2010.08.115

  日期：2010.11

  A novel synthesis of 2,3-dihydro-4-pyridinones via the reaction of bisdemethoxycurcumin and primary amines or amine acetates is demonstrated. The structures of the products were established by elemental analysis and from mass, H-1 and C-13 NMR spectra. (C) 2010 Elsevier Ltd. All rights reserved.
• SUBSTITUTED QUINAZOLINE DERIVATIVES AND THEIR USE AS INHIBITORS
  申请人：AstraZeneca AB

  公开号：EP1299381A1

  公开（公告）日：2003-04-09
• [EN] SUBSTITUTED QUINAZOLINE DERIVATIVES AND THEIR USE AS INHIBITORS<br/>[FR] DERIVES DE LA QUINAZOLINE SUBSTITUES ET LEUR UTILISATION COMME INHIBITEURS
  申请人：ASTRAZENECA AB

  公开号：WO2002000649A1

  公开（公告）日：2002-01-03

  The use of a compound of formula (I) or a salt, ester or amide thereof; where X is O, or S, S(O) or S(O)2, or NR6 where R6 is hydrogen or C¿1-6?alkyl; R?5¿ is an optionally substituted 5-membered heteroaromatic ring, R?1, R2, R3, R4¿ are independently selected from various specified moieties, in the preparation of a medicament for use in the inhibition of aurora 2 kinase. Certain compounds are novel and these, together with pharmaceutical compositions containing them are also described and claimed.