Benzothiazole, 2,3-dihydro-2-(3-nitrophenyl)- | 88437-13-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻唑类
• 英文名称: Benzothiazole, 2,3-dihydro-2-(3-nitrophenyl)-
• 英文别名: 2-(3-nitrophenyl)-2,3-dihydro-1,3-benzothiazole
• CAS: 88437-13-2
• 化学式: C₁₃H₁₀N₂O₂S
• 分子量: 258.301
• InChiKey: QHPVFNQHUFOWSH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  18
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  83.2
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  Benzothiazole, 2,3-dihydro-2-(3-nitrophenyl)- 在 对苯醌 作用下， 以 乙醇 为溶剂， 反应 1.0h， 生成 2-(3-nitrophenyl)benzothiazole
  参考文献：
  名称：

  Two birds with one stone: redox co-production of 2-arylbenzothiazoles and hydroquinone

  摘要：

  A variety of 2-arylbenzothiazoles are co-produced with hydroquinone in the absence of additional reagents and catalysts under mild conditions. When this inherently waste-free process is employed, none of the reactions require the use of additional redox reagents, and all of them are environmentally friendly with excellent atom economy (>= 95%).

  DOI：

  10.1007/s00706-009-0231-6
• 作为产物：
  描述：

  间硝基苯甲醛 、 2-氨基苯硫醇 以 乙醇 为溶剂， 反应 1.08h， 生成 Benzothiazole, 2,3-dihydro-2-(3-nitrophenyl)-
  参考文献：
  名称：

  Two birds with one stone: redox co-production of 2-arylbenzothiazoles and hydroquinone

  摘要：

  A variety of 2-arylbenzothiazoles are co-produced with hydroquinone in the absence of additional reagents and catalysts under mild conditions. When this inherently waste-free process is employed, none of the reactions require the use of additional redox reagents, and all of them are environmentally friendly with excellent atom economy (>= 95%).

  DOI：

  10.1007/s00706-009-0231-6