3-(methyl-1-phenylindeno[2,1-e]pyrazolo[3,4-b]pyrazin-5(1H)-ylidene)pentane-2,4-dione | 1430324-07-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 3-(methyl-1-phenylindeno[2,1-e]pyrazolo[3,4-b]pyrazin-5(1H)-ylidene)pentane-2,4-dione
• 英文别名: 3-(12-Methyl-14-phenyl-10,13,14,16-tetrazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2,4,6,9,11(15),12-heptaen-8-ylidene)pentane-2,4-dione；3-(12-methyl-14-phenyl-10,13,14,16-tetrazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2,4,6,9,11(15),12-heptaen-8-ylidene)pentane-2,4-dione
• CAS: 1430324-07-4
• 化学式: C₂₄H₁₈N₄O₂
• 分子量: 394.433
• InChiKey: OILNHPYOLZKQCY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  30
• 可旋转键数：
  3
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  77.7
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  1,6-diphenyl-3-methyl-1H-pyrazolo[3,4-b]pyrazine-5-carboxylic acid 在 吡啶 、 二硫化碳 、 aluminum (III) chloride 、 氯化亚砜 作用下， 反应 18.0h， 生成 3-(methyl-1-phenylindeno[2,1-e]pyrazolo[3,4-b]pyrazin-5(1H)-ylidene)pentane-2,4-dione
  参考文献：
  名称：

  First synthesis and biological evaluation of indeno[2,1- e ]pyrazolo[3,4- b ]pyrazin-5-one and related derivatives

  摘要：

  The synthesis of indeno[2,1-e]pyrazolo[3,4-b]pyrazin-5-one was achieved by intramolecular Friedel-Crafts reaction of the acid chloride 3-methyl-1,6-diphenyl-1H-pyrazolo[3,4-b] pyrazine-5-carboxylic acid chloride (4) using AlCl3 in boiling CS2. Compound 4 proved to be a versatile compound for the synthesis of several Indenopyrazolopyrazinone derivatives. The antibacterial and antifungal activities of selected derivatives were evaluated. (C) 2013 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2013.01.025