N-[2-[(2,4-difluorophenyl)thio]-4-oxoquinazolin-3(4H)-yl]methanesulfonamide | 1018471-52-7

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: N-[2-[(2,4-difluorophenyl)thio]-4-oxoquinazolin-3(4H)-yl]methanesulfonamide
• 英文别名: N-[2-(2,4-difluorophenyl)sulfanyl-4-oxoquinazolin-3-yl]methanesulfonamide
• CAS: 1018471-52-7
• 化学式: C₁₅H₁₁F₂N₃O₃S₂
• 分子量: 383.399
• InChiKey: KTMQWHFYRCKFQB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  25
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  113
• 氢给体数：
  1
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  N-(4-oxo-2-thioxo-1,4-dihydroquinazolin-3(2H)-yl)methanesulfonamide 、 2,4-二氟碘苯 在 氢氧化钾 、 copper(l) iodide 、 铜 作用下， 以 乙醇 、 水 为溶剂， 反应 7.0h， 以40%的产率得到N-[2-[(2,4-difluorophenyl)thio]-4-oxoquinazolin-3(4H)-yl]methanesulfonamide
  参考文献：
  名称：

  Copper‐Catalyzed Coupling Reaction of 2‐Thioxo‐4‐quinazolinone and Thieno[3,2‐d]pyrimidin‐4‐one Methane Sulphonamide with Aryl Iodides: Preparation of Potential COX‐2 Selective Inhibitors

  摘要：

  Thio-aryl methane sulfonamide derivatives of 4-quinazolinone and thieno[2,3-d]pyrimidin-4-one were synthesized using powdery copper/copper(I) iodide as catalyst; their structural elucidation is also reported. These derivatives were planned as sulfur bioisosteres of selective COX-2 inhibitor drugs.

  DOI：

  10.1080/00397910701820236

文献信息

• Copper‐Catalyzed Coupling Reaction of 2‐Thioxo‐4‐quinazolinone and Thieno[3,2‐<i>d</i>]pyrimidin‐4‐one Methane Sulphonamide with Aryl Iodides: Preparation of Potential COX‐2 Selective Inhibitors
  作者：Antonio Perdicaro、Giuseppe Granata、Agostino Marrazzo、Andrea Santagati

  DOI：10.1080/00397910701820236

  日期：2008.2.13

  Thio-aryl methane sulfonamide derivatives of 4-quinazolinone and thieno[2,3-d]pyrimidin-4-one were synthesized using powdery copper/copper(I) iodide as catalyst; their structural elucidation is also reported. These derivatives were planned as sulfur bioisosteres of selective COX-2 inhibitor drugs.