Methyl 5-(3-chloro-4-fluorophenyl)furan-2-carboxylate | 954818-65-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 呋喃
• 英文名称: Methyl 5-(3-chloro-4-fluorophenyl)furan-2-carboxylate
• CAS: 954818-65-6
• 化学式: C₁₂H₈ClFO₃
• mdl: MFCD09881749
• 分子量: 254.645
• InChiKey: XKKXUJBFTOXJIC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  39.4
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  Methyl 5-(3-chloro-4-fluorophenyl)furan-2-carboxylate 在 lithium hydroxide 作用下， 以 四氢呋喃 为溶剂， 生成 5-(3-chloro-4-fluorophenyl)-2-furoic acid
  参考文献：
  名称：

  Discovery of new C3aR ligands. Part 1: Arginine derivatives

  摘要：

  The synthesis and in vitro binding of several new arginine-containing C3aR ligands are reported. DMPK properties and functional activities of selected compounds have been evaluated. One compound is shown to be active in an in vivo model of airway inflammation after aerosol administration. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.04.022
• 作为产物：
  描述：

  5-溴-2-糠酸甲酯 、 3-氯-4-氟苯硼酸 在 四(三苯基膦)钯 sodium carbonate 作用下， 以 乙二醇二甲醚 为溶剂， 生成 Methyl 5-(3-chloro-4-fluorophenyl)furan-2-carboxylate
  参考文献：
  名称：

  Discovery of new C3aR ligands. Part 1: Arginine derivatives

  摘要：

  The synthesis and in vitro binding of several new arginine-containing C3aR ligands are reported. DMPK properties and functional activities of selected compounds have been evaluated. One compound is shown to be active in an in vivo model of airway inflammation after aerosol administration. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.04.022

文献信息

• Discovery of new C3aR ligands. Part 1: Arginine derivatives
  作者：Frédéric Denonne、Sophie Binet、Maggi Burton、Philippe Collart、Alan Dipesa、Tanmoy Ganguly、Alexander Giannaras、Seema Kumar、Timothy Lewis、Florence Maounis、Jean-Marie Nicolas、Tamsin Mansley、Patrick Pasau、Dorin Preda、Karin Stebbins、Alexander Volosov、Dong Zou

  DOI：10.1016/j.bmcl.2007.04.022

  日期：2007.6

  The synthesis and in vitro binding of several new arginine-containing C3aR ligands are reported. DMPK properties and functional activities of selected compounds have been evaluated. One compound is shown to be active in an in vivo model of airway inflammation after aerosol administration. (c) 2007 Elsevier Ltd. All rights reserved.