Ethoxycarbonyl 4-chloropyridine-2-carboxylate | 880495-83-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: Ethoxycarbonyl 4-chloropyridine-2-carboxylate
• CAS: 880495-83-0
• 化学式: C₉H₈ClNO₄
• 分子量: 229.62
• InChiKey: FBVSCQPCTISWEA-UHFFFAOYSA-N

物化性质

• 沸点：
  326.5±52.0 °C(Predicted)
• 密度：
  1.358±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  15
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  65.5
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  Ethoxycarbonyl 4-chloropyridine-2-carboxylate 在 咪唑 、 lithium aluminium tetrahydride 作用下， 以 四氢呋喃 、 N,N-二甲基甲酰胺 为溶剂， 反应 15.5h， 生成 2-(((tert-butyldimethylsilyl)oxy)methyl)-4-chloropyridine
  参考文献：
  名称：

  Biological evaluation of isothiazoloquinolones containing aromatic heterocycles at the 7-position: In vitro activity of a series of potent antibacterial agents that are effective against methicillin-resistant Staphylococcus aureus

  摘要：

  We synthesized a diverse series of 9H-isothiazolo[5,4-b]quinoline-3,4-diones containing heteroaromatic groups at the 7-position via palladium-catalyzed cross-coupling. Many of these compounds demonstrated potent antistaphylococcal activity (MICs <= 2 mu g/mL) against a multi-drug-resistant strain (ATCC 700699) and low cytotoxic activity (CC50 > 100 mu M) against the human cell line Hep2 (laryngeal carcinoma). (C) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.11.064
• 作为产物：
  描述：

  4-氯-2-吡啶甲酸 、 氯甲酸乙酯 在 三乙胺 作用下， 以 苯 为溶剂， 反应 1.0h， 生成 Ethoxycarbonyl 4-chloropyridine-2-carboxylate
  参考文献：
  名称：

  Biological evaluation of isothiazoloquinolones containing aromatic heterocycles at the 7-position: In vitro activity of a series of potent antibacterial agents that are effective against methicillin-resistant Staphylococcus aureus

  摘要：

  We synthesized a diverse series of 9H-isothiazolo[5,4-b]quinoline-3,4-diones containing heteroaromatic groups at the 7-position via palladium-catalyzed cross-coupling. Many of these compounds demonstrated potent antistaphylococcal activity (MICs <= 2 mu g/mL) against a multi-drug-resistant strain (ATCC 700699) and low cytotoxic activity (CC50 > 100 mu M) against the human cell line Hep2 (laryngeal carcinoma). (C) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.11.064