5-<1-(4-chlorophenyl)-2-(3-chlorophenyl)ethyl>barbituric acid | 175693-00-2

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二苯乙烯类
• 英文名称: 5-<1-(4-chlorophenyl)-2-(3-chlorophenyl)ethyl>barbituric acid
• 英文别名: 5-[2-(3-Chlorophenyl)-1-(4-chlorophenyl)ethyl]-1,3-diazinane-2,4,6-trione
• CAS: 175693-00-2
• 化学式: C₁₈H₁₄Cl₂N₂O₃
• 分子量: 377.227
• InChiKey: KFGUGSJWBRBZGD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  25
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  75.3
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  5-<1-(4-chlorophenyl)-2-(3-chlorophenyl)ethyl>barbituric acid 在 五氯化磷 、 三氯氧磷 作用下， 以 乙醇 为溶剂， 反应 15.0h， 生成 2-(1-piperazinyl)-5-<1-(4-chlorophenyl)-2-(3-chlorophenyl)ethyl>-4,6-dichloropyrimidine
  参考文献：
  名称：

  Growth inhibition of Cryptococcus neoformans by 2-(1-piperazinyl)-5-(1,2-diarylethyl)-4,6-dichloropyrimidines: synthesis and in vitro studies

  摘要：

  2-(1-Piperazinyl)-5-[1-(4-chlorophenyl)-2-phenylethyl]-4,6-dichloropyrimidine and 2-(1-piperazinyl)-5-[1-(4-chlorophenyl)-2-(3-chlorophenyl)ethyl] -4,6-dichloropyrimidine were synthesized via organozinc reagents. These new pyrimidine derivatives were tested against human mycoflora. Biological tests showed that these compounds are selective growth inhibitors of Cryptococcus neoformans.

  DOI：

  10.1016/s0223-5234(96)80010-9
• 作为产物：
  描述：

  4-氯苯甲醛 、 alkaline earth salt of/the/ methylsulfuric acid 在 盐酸 作用下， 以 水 为溶剂， 反应 1.0h， 生成 5-<1-(4-chlorophenyl)-2-(3-chlorophenyl)ethyl>barbituric acid
  参考文献：
  名称：

  Synthesis and antibacterial activity of 2-substituted 5-(1,2-diarylethyl)-4,6-dichloropyrimidine derivatives

  摘要：

  A series of 5-(1,2-diarylethyl)-2,4,6-trichloropyrimidines and 2-amino- and 2-(1-piperazinyl)-5-(1,2-diarylethyl)-4,6-dichloropyrimidines were synthesized via organozinc reagents. These new pyrimidine derivatives were tested against human bacterial flora. Biological tests showed that 5-[1-(4-chlorophenyl)-2-phenylethyl]-2,4,6-trichloropyrimidine is very active against a wide range of bacterial flora of the axilla and foot, while 2-amino and 2-(1-piperazinyl)-4,6- dichloropyrimidine derivatives display a great selectivity against Corynebacterium xerosis and Arcanobacterium haemolyticum of the human axilla.

  DOI：

  10.1016/0223-5234(96)88279-1