5-phenyl-3-(2,2′:5′,2′′-terthien-5-yl)-4,5-dihydro-1H-pyrazoline | 1328904-72-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 双噻吩和低聚噻吩
• 英文名称: 5-phenyl-3-(2,2′:5′,2′′-terthien-5-yl)-4,5-dihydro-1H-pyrazoline
• CAS: 1328904-72-8
• 化学式: C₂₁H₁₆N₂S₃
• 分子量: 392.569
• InChiKey: GPBSQRGGJUNMNE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.64
• 重原子数：
  26.0
• 可旋转键数：
  4.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  24.39
• 氢给体数：
  1.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  5-phenyl-3-(2,2′:5′,2′′-terthien-5-yl)-4,5-dihydro-1H-pyrazoline 、 3,5-二硝基苯甲酰氯 在 吡啶 作用下， 生成 1-(3,5-dinitrobenzoyl)-5-phenyl-3-(2,2′:5′,2′′-terthien-5-yl)-4,5-dihydro-1H-pyrazoline
  参考文献：
  名称：

  The synthesis and photoactivated cytotoxicity of novel 5-phenyl-3-(2,2′:5′,2″-terthien-5-yl)-4,5-dihydro-1H-pyrazolines

  摘要：

  A series of novel 5-pheny1-3-(2,2':5',2 ''-terthien-5-yl)-4,5-dihydro-1H-pyrazolines were synthesized in this report. Their photoactivated cytotoxicities on the Spodoptera litura (SL) cell line were evaluated using the MTT method. It was noticed that the inhibitory activities of all the conjugates was enhanced when irradiated with UV-A light. Compounds 4,6 and 8 were found to be most effective with inhibition rates of 88.1%, 88.0%, and 90.5%, respectively. For compound 5, the inhibition rate value was only slightly enhanced under the irradiation treatment (78.3%) compared to the dark treatment (74.8%). The relationship analysis between structure and activity showed that the middle thiophene ring played an important role on the inhibitory activities. It was shown that these compounds could be the potential candidates for new photoactivated pesticides. (C) 2013 Zhuo-Hong Yang. Published by Elsevier B.V. on behalf of Chinese Chemical Society. All rights reserved.

  DOI：

  10.1016/j.cclet.2013.11.007
• 作为产物：
  描述：

  2,2':5',2'-四噻吩-5-甲醛 在 三乙胺 、 肼 作用下， 以 乙醇 为溶剂， 生成 5-phenyl-3-(2,2′:5′,2′′-terthien-5-yl)-4,5-dihydro-1H-pyrazoline
  参考文献：
  名称：

  The synthesis and photoactivated cytotoxicity of novel 5-phenyl-3-(2,2′:5′,2″-terthien-5-yl)-4,5-dihydro-1H-pyrazolines

  摘要：

  A series of novel 5-pheny1-3-(2,2':5',2 ''-terthien-5-yl)-4,5-dihydro-1H-pyrazolines were synthesized in this report. Their photoactivated cytotoxicities on the Spodoptera litura (SL) cell line were evaluated using the MTT method. It was noticed that the inhibitory activities of all the conjugates was enhanced when irradiated with UV-A light. Compounds 4,6 and 8 were found to be most effective with inhibition rates of 88.1%, 88.0%, and 90.5%, respectively. For compound 5, the inhibition rate value was only slightly enhanced under the irradiation treatment (78.3%) compared to the dark treatment (74.8%). The relationship analysis between structure and activity showed that the middle thiophene ring played an important role on the inhibitory activities. It was shown that these compounds could be the potential candidates for new photoactivated pesticides. (C) 2013 Zhuo-Hong Yang. Published by Elsevier B.V. on behalf of Chinese Chemical Society. All rights reserved.

  DOI：

  10.1016/j.cclet.2013.11.007