2-(4-acetaminophenylthio)nicotinic acid | 1019362-07-2

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 2-(4-acetaminophenylthio)nicotinic acid
• 英文别名: 2-(4-Acetamidophenyl)sulfanylpyridine-3-carboxylic acid
• CAS: 1019362-07-2
• 化学式: C₁₄H₁₂N₂O₃S
• 分子量: 288.327
• InChiKey: PKNJTSFMSICSSO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  20
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  105
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2-(4-acetaminophenylthio)nicotinic acid 在 PPA 作用下， 反应 6.0h， 生成
  参考文献：
  名称：

  Synthesis and the Skraup Reaction of Amino-5H-benzothiopyrano[2,3-b]pyridin-5-ones

  摘要：

  The new amino derivatives of 5 H-[1]benzothiopyrano[2,3-b]pyridin-5-one were synthesized. The Skraup reaction of these amino-5 H-[1]benzothiopyrano [2, 3-b]pyridin-5-ones was conducted in the presence of glycerol, fuming sulfuric acid, nitrobenzene, iron (II) sulfate and boric acid. 6-Amino-, 7-amino-, 8-amino- and 9-Amino-5 H-[1]benzothiopyrano [2,3-b] pyridin-5-ones gave 12 H-pyrido[3', 2':5,6]thiopyrano [2,3-h]quinolin-12-one, 12 H-pyrido [3',2':5,6]thiopyrano [3,2-f]quinolin-12-one, 7 H-pyrido [3',2':5,6]thiopyrano[2, 3-f]quinolin-7-one and 7 H-pyrido [3',2':5,6]thiopyrano[3,2-h]quinolin-7-one, respectively.

  DOI：

  10.3987/com-96-7647
• 作为产物：
  描述：

  2-巯基烟酸 、 4'-溴乙酰苯胺 在 copper(l) iodide 、 铜 、 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 14.0h， 生成 2-(4-acetaminophenylthio)nicotinic acid
  参考文献：
  名称：

  Synthesis and the Skraup Reaction of Amino-5H-benzothiopyrano[2,3-b]pyridin-5-ones

  摘要：

  The new amino derivatives of 5 H-[1]benzothiopyrano[2,3-b]pyridin-5-one were synthesized. The Skraup reaction of these amino-5 H-[1]benzothiopyrano [2, 3-b]pyridin-5-ones was conducted in the presence of glycerol, fuming sulfuric acid, nitrobenzene, iron (II) sulfate and boric acid. 6-Amino-, 7-amino-, 8-amino- and 9-Amino-5 H-[1]benzothiopyrano [2,3-b] pyridin-5-ones gave 12 H-pyrido[3', 2':5,6]thiopyrano [2,3-h]quinolin-12-one, 12 H-pyrido [3',2':5,6]thiopyrano [3,2-f]quinolin-12-one, 7 H-pyrido [3',2':5,6]thiopyrano[2, 3-f]quinolin-7-one and 7 H-pyrido [3',2':5,6]thiopyrano[3,2-h]quinolin-7-one, respectively.

  DOI：

  10.3987/com-96-7647

文献信息

• Synthesis and the Skraup Reaction of Amino-5H-benzothiopyrano[2,3-b]pyridin-5-ones
  作者：Hidetoshi Fujiwara

  DOI：10.3987/com-96-7647

  日期：——

  The new amino derivatives of 5 H-[1]benzothiopyrano[2,3-b]pyridin-5-one were synthesized. The Skraup reaction of these amino-5 H-[1]benzothiopyrano [2, 3-b]pyridin-5-ones was conducted in the presence of glycerol, fuming sulfuric acid, nitrobenzene, iron (II) sulfate and boric acid. 6-Amino-, 7-amino-, 8-amino- and 9-Amino-5 H-[1]benzothiopyrano [2,3-b] pyridin-5-ones gave 12 H-pyrido[3', 2':5,6]thiopyrano [2,3-h]quinolin-12-one, 12 H-pyrido [3',2':5,6]thiopyrano [3,2-f]quinolin-12-one, 7 H-pyrido [3',2':5,6]thiopyrano[2, 3-f]quinolin-7-one and 7 H-pyrido [3',2':5,6]thiopyrano[3,2-h]quinolin-7-one, respectively.