3,5-dimethyl-1,4,7-triphenyl-8-oxa-1,2,6,7-tetraza-4,7-dihydro-1H-s-indacene

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 3,5-dimethyl-1,4,7-triphenyl-8-oxa-1,2,6,7-tetraza-4,7-dihydro-1H-s-indacene
• 英文别名: 3,5-dimethyl-1,4,7-triphenyl-4,7-dihydro-1H-pyrano[2,3-c:6,5-c']dipyrazole；6,10-Dimethyl-4,8,12-triphenyl-2-oxa-4,5,11,12-tetrazatricyclo[7.3.0.03,7]dodeca-1(9),3(7),5,10-tetraene
• 化学式: C₂₇H₂₂N₄O
• 分子量: 418.498
• InChiKey: FQAUXGHJPOKDME-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.3
• 重原子数：
  32
• 可旋转键数：
  3
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  44.9
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  苯甲醛 、 依达拉奉 在 Ag NPs decked graphene oxide composite 作用下， 以 水 为溶剂， 反应 1.5h， 以89%的产率得到3,5-dimethyl-1,4,7-triphenyl-8-oxa-1,2,6,7-tetraza-4,7-dihydro-1H-s-indacene
  参考文献：
  名称：

  Ag NPs decked GO composite as a competent and reusable catalyst for ‘ON WATER’ chemoselective synthesis of pyrano[2,3-c:6,5-c′]dipyrazol]-2-ones

  摘要：

  We have synthesized and characterized Ag NPs decked GO composite and studied its role as reusable catalyst for the 'ON WATER' chemoselective synthesis of pyranodipyrazolones via the reaction of different carbonyl compounds with 3-methyl-1-phenyl-1H-pyrazol-5(4H)-one. This method illustrates significant selectivity for pyranodipyrazolones over arylmethylene bispyrazolols and arylmethylenepyrazolones. Synergistic effect of heterogenic nature of water with reactants and Ag NP5/G0 had profuse outcome on reaction as indicated by high TOF (18.03 x 10(-5) mol g(-1) min(-1)). Furthermore, catalyst was recycled for 7-times without significant loss of activity. (C) 2017 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2017.02.014

文献信息

• Synthesis, Characterization and Biological Evaluation of Some New Oxino bis-Pyrazole Derivatives
  作者：Abdul Ghafoor、Noreen Aslam、Mark C. Elliott、Naveed Sajid、Muhammad Nasrullah、Muhammad Ashraf、Qurat-ul- Ain、Misbahul Ain Khan

  DOI：10.14233/ajchem.2016.19736

  日期：——

  3-methyl-1-phenyl pyrazoline-5-one, cyanoacetamide and aryl- or alkylaldehydes, in the presence of catalytic amounts of triethylamine and ethanol as a solvent. All the synthesized compounds were evaluated for their inhibitory activities against butyrylcholinesterase (BChE) and bovine a-chymotrypsin. Two compounds, 8 and 9 were found to be good inhibitors of enzyme BChE with IC50 values of 52.74 ± 0

  在催化量的三乙胺和乙醇作为溶剂的存在下，通过 3-甲基-1-苯基吡唑啉-5-酮、氰基乙酰胺和芳基-或烷基醛的两步反应获得了新型oxino双-吡唑。评估了所有合成的化合物对丁酰胆碱酯酶 (BChE) 和牛α-胰凝乳蛋白酶的抑制活性。发现两种化合物 8 和 9 是 BChE 酶的良好抑制剂，IC50 值分别为 52.74 ± 0.006 和 51.85 ± 0.005 μM。