4-(2,4-dimethoxyphenylamino)pent-3-en-2-one

• 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-(2,4-dimethoxyphenylamino)pent-3-en-2-one
• 英文别名: (Z)-4-(2,4-dimethoxyanilino)pent-3-en-2-one
• 化学式: C₁₃H₁₇NO₃
• 分子量: 235.283
• InChiKey: ARAJDYNKIRKUGP-CLFYSBASSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  17
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  47.6
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4-(2,4-dimethoxyphenylamino)pent-3-en-2-one 、 4-methoxybenzenediazonium hexafluorophosphate 在 sodium acetate 作用下， 以 二氯甲烷 为溶剂， 反应 72.0h， 以37%的产率得到1-(4-methoxyphenyl)-4-(2,4-dimethoxyphenylamino)-5-(4-methoxyphenyldiazenyl)-6-methylpyridazinium hexafluorophosphate
  参考文献：
  名称：

  Synthesis, NMR and X-ray characterisation of 6-substituted 4-amino-5-aryldiazenyl-1-arylpyridazinium salts

  摘要：

  A new simple method has been used to prepare 6-substituted 4-(subst. amino)-5-aryldiazenyl-l-arylpyridazinium salts from N-methyl- or N-aryl-3-amino-l-phenylbut-2-en-l-ones and 4-aminopent-3-en-2-ones and substituted benzenediazonium tetrafluoroborates or hexafluorophosphates. The structure of selected derivatives was studied by means of N-15 NMR spectra and X-ray. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2005.06.044
• 作为产物：
  描述：

  2,4-二甲氧基苯胺 、 乙酰丙酮 以 甲苯 为溶剂， 以84%的产率得到4-(2,4-dimethoxyphenylamino)pent-3-en-2-one
  参考文献：
  名称：

  Synthesis, NMR and X-ray characterisation of 6-substituted 4-amino-5-aryldiazenyl-1-arylpyridazinium salts

  摘要：

  A new simple method has been used to prepare 6-substituted 4-(subst. amino)-5-aryldiazenyl-l-arylpyridazinium salts from N-methyl- or N-aryl-3-amino-l-phenylbut-2-en-l-ones and 4-aminopent-3-en-2-ones and substituted benzenediazonium tetrafluoroborates or hexafluorophosphates. The structure of selected derivatives was studied by means of N-15 NMR spectra and X-ray. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2005.06.044

文献信息

• Synthesis, NMR and X-ray characterisation of 6-substituted 4-amino-5-aryldiazenyl-1-arylpyridazinium salts
  作者：Petr Šimůnek、Markéta Pešková、Valerio Bertolasi、Vladimír Macháček、Antonín Lyčka

  DOI：10.1016/j.tet.2005.06.044

  日期：2005.8

  A new simple method has been used to prepare 6-substituted 4-(subst. amino)-5-aryldiazenyl-l-arylpyridazinium salts from N-methyl- or N-aryl-3-amino-l-phenylbut-2-en-l-ones and 4-aminopent-3-en-2-ones and substituted benzenediazonium tetrafluoroborates or hexafluorophosphates. The structure of selected derivatives was studied by means of N-15 NMR spectra and X-ray. (c) 2005 Elsevier Ltd. All rights reserved.