3-(4-Chloro-phenyl)-5-[5-(4-nitro-phenyl)-furan-2-yl]-4,5-dihydro-1H-pyrazole | 294636-05-8

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二芳基庚烷
• 英文名称: 3-(4-Chloro-phenyl)-5-[5-(4-nitro-phenyl)-furan-2-yl]-4,5-dihydro-1H-pyrazole
• 英文别名: 3-(4-chlorophenyl)-5-[5-(4-nitrophenyl)furan-2-yl]-4,5-dihydro-1H-pyrazole
• CAS: 294636-05-8
• 化学式: C₁₉H₁₄ClN₃O₃
• 分子量: 367.791
• InChiKey: BTJLGAVYMGGCDN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  26
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  83.4
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  乙酸酐 、 3-(4-Chloro-phenyl)-5-[5-(4-nitro-phenyl)-furan-2-yl]-4,5-dihydro-1H-pyrazole 反应 3.0h， 以86%的产率得到1-acetyl-3-(4-chlorophenyl)-5-[5-(4-nitrophenyl)-2-furyl]-4,5-dihydro-1H-pyrazole
  参考文献：
  名称：

  Studies on arylfuran derivatives

  摘要：

  Arylfurylpropenones 3 were synthesized by Claisen-Schmidt condensation of arylfurfurals 1 with various substituted acetophenones 2. Cyclocondensation of these arylfurylpropenones 3 with hydrazine hydrate and phenylhydrazine furnished 1H-pyrazolines 4 and N-phenylpyrazolines 6, respectively. In order to study the structure-activity relationships, pyrazolines 4 were converted into their N-acetyl derivatives 5. The antibacterial properties of the new pyrazoline derivatives were studied.

  DOI：

  10.1016/s0014-827x(00)00030-6
• 作为产物：
  描述：

  (E)-1-(4-Chloro-phenyl)-3-[5-(4-nitro-phenyl)-furan-2-yl]-propenone 在 一水合肼 作用下， 以 乙醇 为溶剂， 反应 4.0h， 以91%的产率得到3-(4-Chloro-phenyl)-5-[5-(4-nitro-phenyl)-furan-2-yl]-4,5-dihydro-1H-pyrazole
  参考文献：
  名称：

  Studies on arylfuran derivatives

  摘要：

  Arylfurylpropenones 3 were synthesized by Claisen-Schmidt condensation of arylfurfurals 1 with various substituted acetophenones 2. Cyclocondensation of these arylfurylpropenones 3 with hydrazine hydrate and phenylhydrazine furnished 1H-pyrazolines 4 and N-phenylpyrazolines 6, respectively. In order to study the structure-activity relationships, pyrazolines 4 were converted into their N-acetyl derivatives 5. The antibacterial properties of the new pyrazoline derivatives were studied.

  DOI：

  10.1016/s0014-827x(00)00030-6

文献信息

• Studies on arylfuran derivatives
  作者：B Shivarama Holla、P.M Akberali、M.K Shivananda

  DOI：10.1016/s0014-827x(00)00030-6

  日期：2000.4

  Arylfurylpropenones 3 were synthesized by Claisen-Schmidt condensation of arylfurfurals 1 with various substituted acetophenones 2. Cyclocondensation of these arylfurylpropenones 3 with hydrazine hydrate and phenylhydrazine furnished 1H-pyrazolines 4 and N-phenylpyrazolines 6, respectively. In order to study the structure-activity relationships, pyrazolines 4 were converted into their N-acetyl derivatives 5. The antibacterial properties of the new pyrazoline derivatives were studied.