1-phenyl-3-(2-thienyl)-5-[4-(dimethylamino)phenyl]-Δ2-pyrazoline | 5204-21-7

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 1-phenyl-3-(2-thienyl)-5-[4-(dimethylamino)phenyl]-Δ2-pyrazoline
• 英文别名: N,N-dimethyl-4-(2-phenyl-5-thiophen-2-yl-3,4-dihydro-2H-pyrazol-3-yl)-aniline；1-Phenyl-5-(4-dimethylamino-phenyl)-3-<2>thienyl-Δ²-pyrazolin；1-Phenyl-3-(2-thienyl)-5-(4-dimethylaminophenyl)-Δ²-pyrazolin；1-Phenyl-3-thien-2'-yl-5-p-dimethylaminophenyl-Δ²-pyrazolin；N,N-Dimethyl-4-[1-phenyl-3-(2-thienyl)-4,5-dihydro-1H-pyrazol-5-YL]aniline；N,N-dimethyl-4-(2-phenyl-5-thiophen-2-yl-3,4-dihydropyrazol-3-yl)aniline
• CAS: 5204-21-7
• 化学式: C₂₁H₂₁N₃S
• 分子量: 347.484
• InChiKey: LZAGMWZBCKOOMI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.2
• 重原子数：
  25
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  47.1
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1-phenyl-3-(2-thienyl)-5-[4-(dimethylamino)phenyl]-Δ2-pyrazoline 在 calcium hypochlorite 作用下， 反应 0.01h， 以88%的产率得到1-phenyl-3-(2-thienyl)-5-[4-(dimethylamino)phenyl]pyrazole
  参考文献：
  名称：

  Microwave-promoted Aromatization of 1,3,5-trisubstituted 4,5-Dihydro-1H-pyrazoles by Calcium Hypochlorite under Solvent-free Conditions

  摘要：

  An efficient microwave-promoted aromatization of 1,3,5-trisubstituted 4,5-dihydro-1H-pyrazoles using calcium hypochlorite [Ca(OCl)(2)] has been reported. The reaction proceeds very fast to give pyrazoles in good yields on irradiation of a mixture of the dihydropyrazole and Ca(OCl)(2) on alumina without using solvent.

  DOI：

  10.3987/com-06-10701
• 作为产物：
  描述：

  2-乙酰基噻吩 在 sodium hydroxide 作用下， 以 乙醇 、 水 为溶剂， 生成 1-phenyl-3-(2-thienyl)-5-[4-(dimethylamino)phenyl]-Δ2-pyrazoline
  参考文献：
  名称：

  Ingle; Doshi; Raut, Oriental Journal of Chemistry, 2011, vol. 27, # 4, p. 1691 - 1698

  摘要：

  DOI：

文献信息

• Microwave-promoted Aromatization of 1,3,5-trisubstituted 4,5-Dihydro-1H-pyrazoles by Calcium Hypochlorite under Solvent-free Conditions
  作者：Davood Azarifar、Azadeh Gharshasbi

  DOI：10.3987/com-06-10701

  日期：——

  An efficient microwave-promoted aromatization of 1,3,5-trisubstituted 4,5-dihydro-1H-pyrazoles using calcium hypochlorite [Ca(OCl)(2)] has been reported. The reaction proceeds very fast to give pyrazoles in good yields on irradiation of a mixture of the dihydropyrazole and Ca(OCl)(2) on alumina without using solvent.
• Ingle; Doshi; Raut, Oriental Journal of Chemistry, 2011, vol. 27, # 4, p. 1691 - 1698
  作者：Ingle、Doshi、Raut、Kadu

  DOI：——

  日期：——