1-methyl-N-(4-(trifluoromethyl)benzylidene)-1H-indazole-3-carbohydrazide | 1369597-33-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 1-methyl-N-(4-(trifluoromethyl)benzylidene)-1H-indazole-3-carbohydrazide
• CAS: 1369597-33-0
• 化学式: C₁₇H₁₃F₃N₄O
• 分子量: 346.312
• InChiKey: PRWNPQVZSXETSE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.36
• 重原子数：
  25.0
• 可旋转键数：
  3.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  59.28
• 氢给体数：
  1.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  1-methyl-N-(4-(trifluoromethyl)benzylidene)-1H-indazole-3-carbohydrazide 、 亚磷酸三乙酯 在 三甲基氯硅烷 、 甲醇 作用下， 以 乙腈 为溶剂， 反应 12.0h， 以86%的产率得到diethyl (2-(1-methyl-1H-indazole-3-carbonyl)hydrazinyl)(4-(trifluoromethyl)phenyl)methylphosphonate
  参考文献：
  名称：

  Synthesis of new α aminophosphonate system bearing Indazole moiety and their biological activity

  摘要：

  We are reporting herein for the first time the synthesis of alpha-aminophosphonates containing Indazole moiety in two steps. In the first step, imines of substituted N-benzylidene-1-methyl-1H-indazole-3-carbohydrazide are synthesized and in the next step it has converted to alpha-aminophosphonates using chlorotrimethylsilane (TMSCI) and triethyl phosphite. Some of the synthesized derivatives are evaluated for antibacterial activity against different bacterial strains. (C) 2012 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2012.01.024
• 作为产物：
  描述：

  1-甲基-3-吲唑甲酸 在 硫酸 、 一水合肼 、 溶剂黄146 作用下， 以 乙醇 为溶剂， 反应 6.0h， 生成 1-methyl-N-(4-(trifluoromethyl)benzylidene)-1H-indazole-3-carbohydrazide
  参考文献：
  名称：

  Synthesis of new α aminophosphonate system bearing Indazole moiety and their biological activity

  摘要：

  We are reporting herein for the first time the synthesis of alpha-aminophosphonates containing Indazole moiety in two steps. In the first step, imines of substituted N-benzylidene-1-methyl-1H-indazole-3-carbohydrazide are synthesized and in the next step it has converted to alpha-aminophosphonates using chlorotrimethylsilane (TMSCI) and triethyl phosphite. Some of the synthesized derivatives are evaluated for antibacterial activity against different bacterial strains. (C) 2012 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2012.01.024