(4-Methyl-acetophenon)-guanylhydrazon | 99171-46-7

• 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: (4-Methyl-acetophenon)-guanylhydrazon
• 英文别名: 2-[1-(4-Methylphenyl)ethylideneamino]guanidine
• CAS: 99171-46-7
• 化学式: C₁₀H₁₄N₄
• mdl: MFCD21101395
• 分子量: 190.248
• InChiKey: TZDPDLSSNJSETN-UHFFFAOYSA-N

物化性质

• 沸点：
  306.6±35.0 °C(Predicted)
• 密度：
  1.14±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  76.8
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  (4-Methyl-acetophenon)-guanylhydrazon 以 甲醇 、 乙腈 为溶剂， 生成 methyl 2-(3-(naphthalen-1-yl)-4-oxo-2-((N''-(1-(p-tolyl)ethylidene)carbamohydrazonoyl)imino)thiazolidin-5-ylidene)acetate
  参考文献：
  名称：

  Antiproliferative activity and molecular docking studies of new 4-oxothiazolidin-5-ylidene acetate derivatives containing guanylhydrazone moiety

  摘要：

  DOI：

  10.1016/j.molstruc.2022.132627
• 作为产物：
  描述：

  氨基胍碳酸氢盐 、 对甲基苯乙酮 在 盐酸 作用下， 以 乙醇 、 水 为溶剂， 反应 1.0h， 以11%的产率得到(4-Methyl-acetophenon)-guanylhydrazon
  参考文献：
  名称：

  Evaluation of the thiosemicarbazones of some aryl alkyl ketones and related compounds for anticonvulsant activities

  摘要：

  The thiosemicarbazone of acetophenone (1a) had been shown previously to afford protection against experimentally-induced seizures. This report describes the systematic chemical modification of 1a and the activities of these analogues in the maximal electroshock seizure (MES) test, subcutaneous maximal pentylenetetrazole seizure (scPTZ) test and neurotoxicity screen in mice when administered by the intraperitoneal route. Most of the compounds were active and representative compounds examined for oral activity in rats revealed that in most cases protection against seizures induced in the MES screen but not the scPTZ test was achieved at a dose of 50 mg/kg. Some correlations between chemical structures and anticonvulsant properties were found.

  DOI：

  10.1016/0223-5234(91)90148-g

文献信息

• Molecular hybrids integrated with imidazole and hydrazone structural motifs: Design, synthesis, biological evaluation, and molecular docking studies
  作者：Michael Tapera、Hüseyin Kekeçmuhammed、Emin Sarıpınar、Murat Doğan、Burak Tüzün、Ümit M. Koçyiğit、Feyza Nur Çetin

  DOI：10.1016/j.molliq.2023.123242

  日期：2023.12