5,6-Dichloro-1-pyridin-2-yl-1H-benzotriazole | 878541-01-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并三唑类
• 英文名称: 5,6-Dichloro-1-pyridin-2-yl-1H-benzotriazole
• 英文别名: 5,6-Dichloro-1-pyridin-2-ylbenzotriazole
• CAS: 878541-01-6
• 化学式: C₁₁H₆Cl₂N₄
• 分子量: 265.101
• InChiKey: PMLQTCYGIDFASU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  17
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  43.6
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  5,6-Dichloro-1-pyridin-2-yl-1H-benzotriazole 在 焦磷酸 作用下， 反应 0.01h， 以16%的产率得到6,7-Dichloro-9H-pyrido[2,3-b]indole
  参考文献：
  名称：

  An Improved Synthesis of α-Carbolines under Microwave Irradiation

  摘要：

  alpha-Carbolines are interesting core structures for designing DNA-interacting small molecules. However, these compounds are not commercially available and their synthetic methods are low yielding or time consuming. The shortest synthetic route, the modified Graebe-Ullmann reaction, has been optimized by using microwave heating in four different types of apparatus to give shorter reaction times and enhanced yields. Optimized conditions enabled the preparation of a small library of alpha-carbolines.

  DOI：

  10.1021/ol052552y
• 作为产物：
  描述：

  2-氯吡啶 、 5,6-二氯苯并三唑 反应 0.17h， 以70%的产率得到5,6-Dichloro-1-pyridin-2-yl-1H-benzotriazole
  参考文献：
  名称：

  An Improved Synthesis of α-Carbolines under Microwave Irradiation

  摘要：

  alpha-Carbolines are interesting core structures for designing DNA-interacting small molecules. However, these compounds are not commercially available and their synthetic methods are low yielding or time consuming. The shortest synthetic route, the modified Graebe-Ullmann reaction, has been optimized by using microwave heating in four different types of apparatus to give shorter reaction times and enhanced yields. Optimized conditions enabled the preparation of a small library of alpha-carbolines.

  DOI：

  10.1021/ol052552y

文献信息

• An Improved Synthesis of α-Carbolines under Microwave Irradiation
  作者：Patricia Vera-Luque、Ramón Alajarín、Julio Alvarez-Builla、Juan J. Vaquero

  DOI：10.1021/ol052552y

  日期：2006.2.1

  alpha-Carbolines are interesting core structures for designing DNA-interacting small molecules. However, these compounds are not commercially available and their synthetic methods are low yielding or time consuming. The shortest synthetic route, the modified Graebe-Ullmann reaction, has been optimized by using microwave heating in four different types of apparatus to give shorter reaction times and enhanced yields. Optimized conditions enabled the preparation of a small library of alpha-carbolines.