(E)-1-(1-benzyl-5-methyltriazol-4-yl)-3-(4-fluorophenyl)prop-2-en-1-one | 1352613-07-0

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 肉桂酸及其衍生物
• 英文名称: (E)-1-(1-benzyl-5-methyltriazol-4-yl)-3-(4-fluorophenyl)prop-2-en-1-one
• CAS: 1352613-07-0
• 化学式: C₁₉H₁₆FN₃O
• 分子量: 321.354
• InChiKey: MCBSCOVDCOQMDH-FMIVXFBMSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  24
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  47.8
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  (E)-1-(1-benzyl-5-methyltriazol-4-yl)-3-(4-fluorophenyl)prop-2-en-1-one 、 硫脲 在 potassium hydroxide 作用下， 以 水 为溶剂， 反应 0.67h， 以91%的产率得到6-(1-benzyl-5-methyltriazol-4-yl)-4-(4-fluorophenyl)-3,4-dihydro-1H-pyrimidine-2-thione
  参考文献：
  名称：

  Facile water promoted synthesis of 1,2,3-triazolyl dihydropyrimidine-2-thione hybrids – Highly potent antibacterial agents

  摘要：

  An elegant and efficient synthesis of hitherto novel 1,2,3-triazolyl dihydropyrimidine-2-thione hybrids has been accomplished for the first time in a green solvent viz. water. The hybrid molecules exhibit significant antibacterial activity when screened against four human pathogens viz. Streptococcus pneumonia, Staphylococcus aureus, Pseudomonas aeruginosa and Salmonella typhi. In comparison to the commercially marketed tetracycline, some of them were equally potent and a few more potent. (C) 2012 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2012.10.029
• 作为产物：
  描述：

  乙酰丙酮 在 potassium carbonate 、 sodium hydroxide 作用下， 以 乙醇 为溶剂， 反应 0.53h， 生成 (E)-1-(1-benzyl-5-methyltriazol-4-yl)-3-(4-fluorophenyl)prop-2-en-1-one
  参考文献：
  名称：

  A facile synthesis of 1,2,3-triazolyl indole hybrids via SbCl3-catalysed Michael addition of indoles to 1,2,3-triazolyl chalcones

  摘要：

  通过在室温下研磨反应物，我们在极短的反应时间内高效、简便、环保地合成了 1,2,3-三唑基查尔酮杂化物（3a-u）。随后，在 SbCl3 催化下，吲哚与查耳酮的迈克尔加成反应以极好的收率得到了 1,2,3-三唑基吲哚杂环（5a-l）。

  DOI：

  10.1007/s12039-012-0281-x

文献信息

• An eco-friendly water mediated synthesis of 1,2,3-triazolyl-2-aminopyrimidine hybrids as highly potent anti-bacterial agents
  作者：Sangaraiah Nagarajan、Poovan Shanmugavelan、Murugan Sathishkumar、Ramasamy Selvi、Alagusundaram Ponnuswamy、Hariharan Harikrishnan、Vellasamy Shanmugaiah

  DOI：10.1016/j.cclet.2013.12.017

  日期：2014.3

  An elegant and efficient synthesis of novel 1,2,3-triazole fused 2-aminopyrimidine hybrids has been accomplished for the first time in the green solvent viz. water. The hybrid molecules exhibit significant anti-bacterial activity when screened against three human pathogens viz. Staphylococcus aureus, Pseudomonas aeruginosa and Klebsiella pneumoniae. In comparison to the commercially marketed drug tetracycline, some of them are equally potent and a few are more potent. (C) 2013 Alagusundaram Ponnuswamy and Vellasamy Shanmugaiah. Published by Elsevier B.V. on behalf of Chinese Chemical Society. All rights reserved.