Diisopropylketon-methyl-hydrazon | 20905-30-0

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: Diisopropylketon-methyl-hydrazon
• CAS: 20905-30-0
• 化学式: C₈H₁₈N₂
• 分子量: 142.244
• InChiKey: KCBGFSFMRCNEDN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.87
• 重原子数：
  10.0
• 可旋转键数：
  3.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  24.39
• 氢给体数：
  1.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  Diisopropylketon-methyl-hydrazon 、 二氯乙二肟 在 三乙胺 作用下， 以 氯仿 为溶剂， 反应 1.0h， 以62%的产率得到6,6,6',6'-tetraisopropyl-4,4'-dimethyl-5,5',6,6'-tetrahydro-4H,4'H-3,3'-bi(1,2,4,5-oxatriazine)
  参考文献：
  名称：

  Bis-Heterocycles. Part II. Tetrahydro-3,3'-bi(1,2,4,5-oxatriazines)

  摘要：

  A new set of tetrahydro-3,3'-bi(1,2,4,5-oxatriazines) 3a-e has been prepared via condensation reaction of alkanone- and cycloalkanone N-methylhydrazones with bis-nitrile oxide. Structures of the synthesized bis-heterocycles are based on IR, NMR and MS spectral data and further by single-crystal X-ray diffraction analysis for compounds 3a and 3d. Compound 3c exhibited inhibitory activity against butyrylcholinesterase (BChE) with IC50 = 1.75 x 10(-5) mu M.

  DOI：

  10.3987/com-18-14015
• 作为产物：
  描述：

  甲基肼 、 2,4-二甲基-3-戊酮 以 苯 为溶剂， 反应 2.0h， 生成 Diisopropylketon-methyl-hydrazon
  参考文献：
  名称：

  N-alkenyl-3,5-pyrazolidinediones from ketone hydrazones, PCl3 and malonic acid

  摘要：

  The title compounds 3, a new series of 3,5-pyrazolidinediones, have been synthesized at room temperature by a one-pot reaction between ketone hydrazone 1, PCl3 and malonic acid. Changing the order of addition of reagents, or their simultaneous addition, gave identical results. In all me procedures the yields are good and in the cases a,b,c and g the E-alkenyl isomer was obtained as the exclusive isomer. A dual mechanism which depends on the order of addition of the reactants is hypothesised.

  DOI：

  10.1016/0040-4020(95)00550-r