5,6-Dimethyl-1-(pyrid-2-yl)-1H-benzotriazole | 878540-97-7

• 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-Dimethyl-1-(pyrid-2-yl)-1H-benzotriazole
• 英文别名: 5,6-Dimethyl-1-pyridin-2-ylbenzotriazole
• CAS: 878540-97-7
• 化学式: C₁₃H₁₂N₄
• 分子量: 224.265
• InChiKey: MCXSUEKZTZIPPJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  17
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.15
• 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-Dimethyl-1-(pyrid-2-yl)-1H-benzotriazole 在 焦磷酸 作用下， 反应 0.01h， 以36%的产率得到6,7-Dimethyl-α-carboline
  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 、 5,6-二甲基-1H-苯并三唑水合物 反应 0.17h， 以72%的产率得到5,6-Dimethyl-1-(pyrid-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

• Cycloalkano-indole and -azaindole derivatives
  申请人：——

  公开号：US20020055635A1

  公开（公告）日：2002-05-09

  Cycloalcanoindole and -azaindole derivatives are prepared by reaction of appropriately substituted carboxylic acids with anmines. The cycloahloanindole and -azaindole derivatives are suitable as active compounds for medicaments, preferably antiatherosclerotic medicaments.

  环萜吲哚和-氮杂吲哚衍生物是通过适当取代的羧酸与胺反应制备的。环萜吲哚和-氮杂吲哚衍生物适用于药物的活性化合物，特别是适用于抗动脉粥样硬化药物。
• Cycloalkano-indol- und -azaindol-derivate
  申请人：BAYER AG

  公开号：EP0705831B1

  公开（公告）日：2003-12-03
• US5684014A
  申请人：——

  公开号：US5684014A

  公开（公告）日：1997-11-04
• US6245775B1
  申请人：——

  公开号：US6245775B1

  公开（公告）日：2001-06-12
• US6265431B1
  申请人：——

  公开号：US6265431B1

  公开（公告）日：2001-07-24