1-cyclopropyl-7-((2S,2'S,5R,5'R)-5,5'-dibenzyl-2,2'-bimorpholino)-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid hydrochloride | 1412409-66-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: 1-cyclopropyl-7-((2S,2'S,5R,5'R)-5,5'-dibenzyl-2,2'-bimorpholino)-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid hydrochloride
• CAS: 1412409-66-5
• 化学式: C₃₅H₃₆FN₃O₅*ClH
• 分子量: 634.147
• InChiKey: YDBIIIRTZOMGDO-QBXBKOMHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.01
• 重原子数：
  45.0
• 可旋转键数：
  8.0
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.37
• 拓扑面积：
  93.03
• 氢给体数：
  2.0
• 氢受体数：
  7.0

反应信息

• 作为产物：
  描述：

  ethyl 1-cyclopropyl-7-((2S,2'S,5R,5'R)-5,5'-dibenzyl-2,2'-bimorpholino)-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate 在 盐酸 、 水 作用下， 反应 3.0h， 以68%的产率得到1-cyclopropyl-7-((2S,2'S,5R,5'R)-5,5'-dibenzyl-2,2'-bimorpholino)-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid hydrochloride
  参考文献：
  名称：

  Amination of quinolones with morpholine derivatives

  摘要：

  The aromatic nucleophilic substitution reaction of 7-chloroquinolone carboxylic acid and its ethyl ester with cyclic amines under microwave irradiation conditions was investigated H-1 NMR spectroscopy was used to monitor the progress of the substitution reaction. The reaction proceeded in high yield with simple cyclic amines and was less efficient for sterically more demanding bimorpholine derivatives. A Pd-catalyzed amination of quinolone carboxylic acid ethyl ester with bimorpholine derivatives provided new C-7 bimorpholino-substituted quinolone derivatives. (c) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2012.09.082