1-chloroacetyl-3-(4-bromophenyl)-5-phenyl-2-pyrazoline | 1242010-30-5

• 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: 1-chloroacetyl-3-(4-bromophenyl)-5-phenyl-2-pyrazoline
• 英文别名: 1-[3-(4-bromophenyl)-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl]-2-chloroethanone；1-[5-(4-bromophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-2-chloroethanone
• CAS: 1242010-30-5
• 化学式: C₁₇H₁₄BrClN₂O
• 分子量: 377.668
• InChiKey: NKLJGMXFYQKMGP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  22
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  32.7
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  1-(4-bromophenyl)-3-phenyl-2-propen-1-one 、 氯乙酸 在 一水合肼 作用下， 以 乙醇 为溶剂， 反应 24.0h， 以62%的产率得到1-chloroacetyl-3-(4-bromophenyl)-5-phenyl-2-pyrazoline
  参考文献：
  名称：

  Synthesis and characterization of novel 1-chloroacetyl derivatives of 2-pyrazolines

  摘要：

  Five novel acetyl derivatives of 2-pyrazoline 6-10 were synthesized by the reaction of chalcones 1-5 with hydrazine hydrate and chloroacetic acid in ethanol. The products were purified by silica gel chromatography and characterized by ESI-MS, FT-IR, UV, H-1 NMR, C-13 NMR and microanalysis.

  DOI：

  10.1515/hc.2011.013

文献信息

• Synthesis and characterization of novel 1-chloroacetyl derivatives of 2-pyrazolines
  作者：Pramod Singh、Jagmohan S. Negi、Geeta Joshi Nee Pant、Mohan S.M. Rawat

  DOI：10.1515/hc.2011.013

  日期：2011.1.1

  Five novel acetyl derivatives of 2-pyrazoline 6-10 were synthesized by the reaction of chalcones 1-5 with hydrazine hydrate and chloroacetic acid in ethanol. The products were purified by silica gel chromatography and characterized by ESI-MS, FT-IR, UV, H-1 NMR, C-13 NMR and microanalysis.