6-(1-benzyl-5-methyltriazol-4-yl)-4-(4-bromophenyl)-3,4-dihydro-1H-pyrimidine-2-thione | 1416209-30-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 6-(1-benzyl-5-methyltriazol-4-yl)-4-(4-bromophenyl)-3,4-dihydro-1H-pyrimidine-2-thione
• CAS: 1416209-30-7
• 化学式: C₂₀H₁₈BrN₅S
• 分子量: 440.366
• InChiKey: FDVJGINHELRNNB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  27
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  86.9
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  1-(1-苄基-5-甲基-1H-1,2,3-噻唑-4-基)-1-乙酮 、 对溴苯甲醛 在 potassium hydroxide 、 sodium hydroxide 作用下， 以 水 为溶剂， 反应 0.67h， 生成 6-(1-benzyl-5-methyltriazol-4-yl)-4-(4-bromophenyl)-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

文献信息

• Facile water promoted synthesis of 1,2,3-triazolyl dihydropyrimidine-2-thione hybrids – Highly potent antibacterial agents
  作者：Nagarajan Sangaraiah、Sathishkumar Murugan、Shanmugavelan Poovan、Ranganathan Raja、Ponnuswamy Alagusundaram、Venkatesan Ramakrishnan、Shanmugaiah Vellasamy

  DOI：10.1016/j.ejmech.2012.10.029

  日期：2012.12

  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.