methyl 3-[(hydrazinocarbonothioyl)amino]thiophene-2-carboxylate | 1018471-15-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻吩类
• 英文名称: methyl 3-[(hydrazinocarbonothioyl)amino]thiophene-2-carboxylate
• 英文别名: Methyl 3-(aminocarbamothioylamino)thiophene-2-carboxylate
• CAS: 1018471-15-2
• 化学式: C₇H₉N₃O₂S₂
• 分子量: 231.299
• InChiKey: FJPGBWRFIHYTSY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  137
• 氢给体数：
  3
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  methyl 3-[(hydrazinocarbonothioyl)amino]thiophene-2-carboxylate 在 sodium hydroxide 作用下， 以 乙醇 为溶剂， 反应 1.0h， 以80%的产率得到Sodium;3-amino-4-oxothieno[3,2-d]pyrimidine-2-thiolate
  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
• 作为产物：
  描述：

  3-异硫氰基噻吩-2-羧酸甲酯 在 一水合肼 作用下， 以 二氯甲烷 、 氯仿 为溶剂， 反应 2.0h， 以90%的产率得到methyl 3-[(hydrazinocarbonothioyl)amino]thiophene-2-carboxylate
  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.