1-[4-(2-Bromo-ethoxy)-3,5-difluoro-phenyl]-ethanone | 386213-28-1

• 英文名称: 1-[4-(2-Bromo-ethoxy)-3,5-difluoro-phenyl]-ethanone
• CAS: 386213-28-1
• 化学式: C₁₀H₉BrF₂O₂
• 分子量: 279.081
• InChiKey: RHKCWZPESBHYNI-UHFFFAOYSA-N

物化性质

• 沸点：
  354.9±42.0 °C(predicted)
• 密度：
  1.524±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.94
• 重原子数：
  15.0
• 可旋转键数：
  4.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  26.3
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  1-[4-(2-Bromo-ethoxy)-3,5-difluoro-phenyl]-ethanone 在 sodium hydroxide 、 氯化亚砜 、 溴 作用下， 以 1,4-二氧六环 、 苯 为溶剂， 反应 4.75h， 生成 4-(2-Bromo-ethoxy)-3,5-difluoro-benzoic acid ethyl ester
  参考文献：
  名称：

  Novel 3-dodecanoylindole-2-carboxylic acid inhibitors of cytosolic phospholipase A2

  摘要：

  Derivatives of 1-[2-(4-carboxyphenoxy)ethyl]-3-dodecanoylindole-2-carboxylic acid (4) with modified substituents at the indole-1-position were synthesized and evaluated for their ability to inhibit the arachidonic acid release in human platelets mediated by the cytosolic phospholipase A(2). One of the most active compounds obtained was 26 with an IC50 of 0.44 muM. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(01)00472-3
• 作为产物：
  描述：

  1,2-二溴乙烷 、 3’,5’-二氟-4’-羟基苯乙酮 在 sodium ethanolate 作用下， 以 乙醇 为溶剂， 生成 1-[4-(2-Bromo-ethoxy)-3,5-difluoro-phenyl]-ethanone
  参考文献：
  名称：

  Novel 3-dodecanoylindole-2-carboxylic acid inhibitors of cytosolic phospholipase A2

  摘要：

  Derivatives of 1-[2-(4-carboxyphenoxy)ethyl]-3-dodecanoylindole-2-carboxylic acid (4) with modified substituents at the indole-1-position were synthesized and evaluated for their ability to inhibit the arachidonic acid release in human platelets mediated by the cytosolic phospholipase A(2). One of the most active compounds obtained was 26 with an IC50 of 0.44 muM. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(01)00472-3