(E)-3-dimethylamino-2-(3,5-dimethyl-1H-1-pyrazolylmethyl)-1-phenyl-2-propen-1-one | 1251744-61-2

• 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: (E)-3-dimethylamino-2-(3,5-dimethyl-1H-1-pyrazolylmethyl)-1-phenyl-2-propen-1-one
• CAS: 1251744-61-2
• 化学式: C₁₇H₂₁N₃O
• 分子量: 283.373
• InChiKey: WIVYGCJDEGQTRT-LFIBNONCSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.83
• 重原子数：
  21.0
• 可旋转键数：
  5.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  38.13
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  (E)-3-dimethylamino-2-(3,5-dimethyl-1H-1-pyrazolylmethyl)-1-phenyl-2-propen-1-one 在 一水合肼 作用下， 以 乙醇 为溶剂， 反应 5.0h， 以80%的产率得到1-(3,5-dimethyl-1H-1-pyrazolyl)-1-(5-phenyl-1H-4-pyrazolyl)methane
  参考文献：
  名称：

  Highly regioselective synthesis of novel 1,4'-bipyrazoles

  摘要：

  Novel 1,4'-bipyrazoles were synthesized via highly regioselective cyclocondensation reactions of b-dimethylaminoenones with hydrazine monohydrate, tert-butylhydrazine hydrochloride, phenylhydrazine hydrochloride or carboxymethylhydrazine. X-ray diffraction technique was used in the elucidation of the regiochemistry of the beta-dimethylaminoenaminones and of the 1,4'-bipyrazoles. 1,4'-Bipyrazolylisoxazoles were also reported.

  DOI：

  10.1590/s0103-50532010000200008
• 作为产物：
  描述：

  N,N-二甲基甲酰胺二甲基缩醛 、 β-(3,5-Dimethylpyrazol-1-yl)-propiophenon 反应 10.0h， 以98%的产率得到(E)-3-dimethylamino-2-(3,5-dimethyl-1H-1-pyrazolylmethyl)-1-phenyl-2-propen-1-one
  参考文献：
  名称：

  Highly regioselective synthesis of novel 1,4'-bipyrazoles

  摘要：

  Novel 1,4'-bipyrazoles were synthesized via highly regioselective cyclocondensation reactions of b-dimethylaminoenones with hydrazine monohydrate, tert-butylhydrazine hydrochloride, phenylhydrazine hydrochloride or carboxymethylhydrazine. X-ray diffraction technique was used in the elucidation of the regiochemistry of the beta-dimethylaminoenaminones and of the 1,4'-bipyrazoles. 1,4'-Bipyrazolylisoxazoles were also reported.

  DOI：

  10.1590/s0103-50532010000200008