6-chloro-3-(1H-indazol-3-yl)-1,2,3-benzotriazin-4-one | 247174-95-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并-1,2,3-三嗪类化合物
• 英文名称: 6-chloro-3-(1H-indazol-3-yl)-1,2,3-benzotriazin-4-one
• CAS: 247174-95-4
• 化学式: C₁₄H₈ClN₅O
• 分子量: 297.703
• InChiKey: UKXMCSSZKKEYCP-UHFFFAOYSA-N

物化性质

• 沸点：
  553.6±56.0 °C(predicted)
• 密度：
  1.65±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  21
• 可旋转键数：
  1
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  73.7
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  6-chloro-3-(1H-indazol-3-yl)-1,2,3-benzotriazin-4-one 在 溶剂黄146 、 potassium iodide 作用下， 反应 1.0h， 以92%的产率得到5-Chloro-N-(1H-indazol-3-yl)-2-iodo-benzamide
  参考文献：
  名称：

  Synthesis and antifungal activity of new N-(1-phenyl-4-carbetoxypyrazol-5-yl)-, N-(indazol-3-yl)- and N-(indazol-5-yl)-2-iodobenzamides

  摘要：

  N-(1-Phenyl-4-carbetoxypyrazol-5-yl)-, N-(indazol-3-yl)- and N-(indazol-5-yl)-2-iodobenzamides 6, with a Benodanil-like structure, were synthesized by refluxing in acetic acid the corresponding benzotriazin ones 5 with potassium iodide for 1 h in order to study the role on the antifungal activity of the N-substitution with an aromatic heterocyclic system on benzamide moiety. Among the tested iododerivatives, compounds 6d,f,g,h possess interesting activities toward some phytopathogenic fungal strains. (C) 2002 Editions scientifiques et medicales Elsevier SAS. All rights reserved.

  DOI：

  10.1016/s0014-827x(01)01190-9
• 作为产物：
  描述：

  3-氨基吲唑 在 吡啶 、 盐酸 、 potassium nitrite 、 溶剂黄146 、 tin(ll) chloride 作用下， 以 水 为溶剂， 反应 1.0h， 生成 6-chloro-3-(1H-indazol-3-yl)-1,2,3-benzotriazin-4-one
  参考文献：
  名称：

  Synthesis and Antiproliferative Activity of Novel 3-(Indazol-3-yl)-quinazolin-4(3H)-one and 3-(Indazol-3-yl)-benzotriazin-4(3H)-one Derivatives

  摘要：

  Several new 3-(indazol-3-yl)-quinazolin-4(3H)-one and 3-(indazol-3-yl)-benzotriazin-4(3H)-one derivatives 5 and 6 were synthesized and tested for their in vitro, antiproliferative activity against Raji, K562, and K562-R cell lines. The pharmacological screening showed that some 2, 6, or 7-substituted quinazolinones 5 posses a significant antiproliferative activity, with a percentage growth inhibition ranging from 44.8% to 100% at 50 mu M, which was higher than that showed by the unsubstituted derivative 5a previously synthesized. For the most active compounds 5d, 5f, and 5g the IC50 were recorded.

  DOI：

  10.1002/(sici)1521-4184(19999)332:9<317::aid-ardp317>3.0.co;2-r