4-(7-Chloro-4-phenyl-[1,8]naphthyridin-2-yl)-piperazine-1-carboxylic acid ethyl ester | 227747-37-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 英文名称: 4-(7-Chloro-4-phenyl-[1,8]naphthyridin-2-yl)-piperazine-1-carboxylic acid ethyl ester
• 英文别名: Ethyl 4-(7-chloro-4-phenyl-1,8-naphthyridin-2-yl)piperazine-1-carboxylate
• CAS: 227747-37-7
• 化学式: C₂₁H₂₁ClN₄O₂
• 分子量: 396.876
• InChiKey: ZTUYOWWYKWEQNU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  28
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  58.6
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  4-(7-Chloro-4-phenyl-[1,8]naphthyridin-2-yl)-piperazine-1-carboxylic acid ethyl ester 在 palladium on activated charcoal 氢气 作用下， 以 甲醇 为溶剂， 反应 12.0h， 以68%的产率得到4-(4-Phenyl-[1,8]naphthyridin-2-yl)-piperazine-1-carboxylic acid ethyl ester
  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 三氯氧磷 作用下， 以93%的产率得到4-(7-Chloro-4-phenyl-[1,8]naphthyridin-2-yl)-piperazine-1-carboxylic acid ethyl ester
  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

文献信息

• Synthesis and evaluation of antimycobacterial activity of 4-phenyl-1,8-naphthyridine derivatives
  作者：Pier Luigi Ferrarini、Clementina Manera、Claudio Mori、Muwaffag Badawneh、Giuseppe Saccomanni

  DOI：10.1016/s0014-827x(98)00094-9

  日期：1998.12

  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.