ethyl (E)-4-(5-fluoro-2-formylphenoxy)but-2-enoate | 612075-90-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: ethyl (E)-4-(5-fluoro-2-formylphenoxy)but-2-enoate
• CAS: 612075-90-8
• 化学式: C₁₃H₁₃FO₄
• 分子量: 252.242
• InChiKey: FNCJSVLHCKMQDV-ONEGZZNKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  18
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  52.6
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  ethyl (E)-4-(5-fluoro-2-formylphenoxy)but-2-enoate 在 potassium fluoride 、 sodium hypochlorite 、 sodium tetrahydroborate 、 盐酸羟胺 、 sodium acetate 、 potassium carbonate 、 三乙胺 、 potassium iodide 作用下， 以 四氢呋喃 、 乙醇 、 二氯甲烷 、 水 为溶剂， 反应 171.0h， 生成 benzyl{3-[4-(2-methyl-3-phenyl-2(E)-propen-1-yl)piperazin-1-ylmethyl]-3a,4-dihydro-3H-[1]benzopyrano[4,3-c]isoxazol-7-yl}amine
  参考文献：
  名称：

  Synthesis of 7-amino-3a,4-dihydro-3H-[1]benzopyrano[4,3-c]isoxazole derivatives displaying combined α2-adrenoceptor antagonistic and 5-HT reuptake inhibiting activities

  摘要：

  Following a program searching for dual 5-HT reuptake inhibitors and alpha(2)-adrenoceptor antagonists started at Johnson & Johnson Pharmaceutical Research & Development, we now report on the synthesis of a series of 7-amino-3a,4-dihydro-3H-[1]benzopyrano[4,3-c]isoxazole derivatives, some of which proved to be the most potent alpha(2)-adrenoceptor blockers within this chemical class of tricyclic isoxazolines, while keeping potent 5-HT reuptake inhibiting activity. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2006.02.043
• 作为产物：
  描述：

  4-溴巴豆酸乙酯 、 4-氟-2-羟基苯甲醛 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 5.0h， 生成 ethyl (E)-4-(5-fluoro-2-formylphenoxy)but-2-enoate
  参考文献：
  名称：

  Synthesis of 7-amino-3a,4-dihydro-3H-[1]benzopyrano[4,3-c]isoxazole derivatives displaying combined α2-adrenoceptor antagonistic and 5-HT reuptake inhibiting activities

  摘要：

  Following a program searching for dual 5-HT reuptake inhibitors and alpha(2)-adrenoceptor antagonists started at Johnson & Johnson Pharmaceutical Research & Development, we now report on the synthesis of a series of 7-amino-3a,4-dihydro-3H-[1]benzopyrano[4,3-c]isoxazole derivatives, some of which proved to be the most potent alpha(2)-adrenoceptor blockers within this chemical class of tricyclic isoxazolines, while keeping potent 5-HT reuptake inhibiting activity. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2006.02.043

文献信息

• SUBSTITUTED AMINO ISOXAZOLINE DERIVATIVES AND THEIR USE AS ANTI-DEPRESSANTS.
  申请人：JANSSEN PHARMACEUTICA N.V.

  公开号：EP1492796B1

  公开（公告）日：2007-09-05
• US7265103B2
  申请人：——

  公开号：US7265103B2

  公开（公告）日：2007-09-04
• Synthesis of 7-amino-3a,4-dihydro-3H-[1]benzopyrano[4,3-c]isoxazole derivatives displaying combined α2-adrenoceptor antagonistic and 5-HT reuptake inhibiting activities
  作者：J. Ignacio Andrés、Jesús Alcázar、José M. Alonso、Ana I. De Lucas、Laura Iturrino、Ilse Biesmans、Anton A. Megens

  DOI：10.1016/j.bmc.2006.02.043

  日期：2006.7

  Following a program searching for dual 5-HT reuptake inhibitors and alpha(2)-adrenoceptor antagonists started at Johnson & Johnson Pharmaceutical Research & Development, we now report on the synthesis of a series of 7-amino-3a,4-dihydro-3H-[1]benzopyrano[4,3-c]isoxazole derivatives, some of which proved to be the most potent alpha(2)-adrenoceptor blockers within this chemical class of tricyclic isoxazolines, while keeping potent 5-HT reuptake inhibiting activity. (c) 2006 Elsevier Ltd. All rights reserved.