2,2,5-Trimethylhexa-3,4-dienal 2-(2-benzothiazolyl) hydrazone

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻唑类
• 英文名称: 2,2,5-Trimethylhexa-3,4-dienal 2-(2-benzothiazolyl) hydrazone
• 英文别名: N-(2,2,5-trimethylhexa-3,4-dienylideneamino)-1,3-benzothiazol-2-amine
• 化学式: C₁₆H₁₉N₃S
• 分子量: 285.413
• InChiKey: GUFMRSGGJRJCAJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.84
• 重原子数：
  20.0
• 可旋转键数：
  4.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  37.28
• 氢给体数：
  1.0
• 氢受体数：
  4.0

反应信息

• 作为产物：
  描述：

  2-肼基苯并噻唑 、 2,2,5-trimethyl-3,4-hexadienal 在 对甲苯磺酸 作用下， 以 苯 为溶剂， 反应 4.0h， 以38%的产率得到2,2,5-Trimethylhexa-3,4-dienal 2-(2-benzothiazolyl) hydrazone
  参考文献：
  名称：

  2,2-Dimethylpenta-3,4-dienal derivatives: Preparation, NMR spectra, and crystal structure

  摘要：

  The preparation of some new 2,2-dimethylpenta-3,4-dienal derivative's starting by Claisen-Cope rearrangement of the pyrolytic product of the corresponding acetales and followed by condensation reactions is described. The synthesis of homoallenylketone 5 from homoallenylaldehyde 3 by Grignard reaction and followed by the oxidation of the formed alcohol using potassium chlorochromate (KCC) is reported. All new compounds are characterized by IR, MS, H-1, and C-13 NMR spectroscopy. The full assignment of the NMR signals is based on HETCOR and FLOCK pulse sequences. The molecular and crystal structure of 2,2-dimethylhexa-3,4-dienal 2,4-dinitrophenylhydrazone is presented.

  DOI：

  10.1007/bf00811384

文献信息

• 2,2-Dimethylpenta-3,4-dienal derivatives: Preparation, NMR spectra, and crystal structure
  作者：R. Marek、M. Potáček、J. Marek、A. De Groot、R. Dommisse

  DOI：10.1007/bf00811384

  日期：1995.10

  The preparation of some new 2,2-dimethylpenta-3,4-dienal derivative's starting by Claisen-Cope rearrangement of the pyrolytic product of the corresponding acetales and followed by condensation reactions is described. The synthesis of homoallenylketone 5 from homoallenylaldehyde 3 by Grignard reaction and followed by the oxidation of the formed alcohol using potassium chlorochromate (KCC) is reported. All new compounds are characterized by IR, MS, H-1, and C-13 NMR spectroscopy. The full assignment of the NMR signals is based on HETCOR and FLOCK pulse sequences. The molecular and crystal structure of 2,2-dimethylhexa-3,4-dienal 2,4-dinitrophenylhydrazone is presented.