7-(4-Carbethoxypiperazin-1-yl)-5-phenyl-1,2,3,4-tetrahydro-1,8-naphthyridine | 227747-41-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: 7-(4-Carbethoxypiperazin-1-yl)-5-phenyl-1,2,3,4-tetrahydro-1,8-naphthyridine
• 英文别名: Ethyl 4-(4-phenyl-5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)piperazine-1-carboxylate
• CAS: 227747-41-3
• 化学式: C₂₁H₂₆N₄O₂
• 分子量: 366.463
• InChiKey: RKCLQEOQERGSPW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  27
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  57.7
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  7-(4-Carbethoxypiperazin-1-yl)-5-phenyl-1,2,3,4-tetrahydro-1,8-naphthyridine 在 sodium hydroxide 、 水 作用下， 以 乙醇 为溶剂， 反应 6.0h， 以90%的产率得到4-Phenyl-2-piperazin-1-yl-[1,8]naphthyridine
  参考文献：
  名称：

  Synthesis and evaluation of antimycobacterial activity of 4-phenyl-1,8-naphthyridine derivatives

  摘要：

  Some 4-phenyl-1,8-naphthyridine derivatives with a piperazino group in the 2- and/or 7-position have been synthesized and evaluated for their tuberculostatic activity. The compounds 1, 6, 10, 17b,c and 19i showed a marked activity against Mycobacterium tuberculosis H37Rv. For this series of compounds, submitted to biological screening, no structure-activity relationship can be deduced.

  DOI：

  10.1016/s0014-827x(98)00094-9
• 作为产物：
  描述：

  4-(7-Hydroxy-4-phenyl-[1,8]naphthyridin-2-yl)-piperazine-1-carboxylic acid ethyl ester 在 palladium on activated charcoal 氢气 、 sodium acetate 、 溶剂黄146 、 三氯氧磷 作用下， 60.0~80.0 ℃ 、202.65 kPa 条件下， 反应 16.0h， 生成 7-(4-Carbethoxypiperazin-1-yl)-5-phenyl-1,2,3,4-tetrahydro-1,8-naphthyridine
  参考文献：
  名称：

  Synthesis and evaluation of antimycobacterial activity of 4-phenyl-1,8-naphthyridine derivatives

  摘要：

  Some 4-phenyl-1,8-naphthyridine derivatives with a piperazino group in the 2- and/or 7-position have been synthesized and evaluated for their tuberculostatic activity. The compounds 1, 6, 10, 17b,c and 19i showed a marked activity against Mycobacterium tuberculosis H37Rv. For this series of compounds, submitted to biological screening, no structure-activity relationship can be deduced.

  DOI：

  10.1016/s0014-827x(98)00094-9