2''-O-acetyl-4'',6''-O-benzylidene-1,3,2',6',3''-penta-N-tosyldibekacin | 190430-66-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2''-O-acetyl-4'',6''-O-benzylidene-1,3,2',6',3''-penta-N-tosyldibekacin
• CAS: 190430-66-1
• 化学式: C₆₂H₇₃N₅O₁₉S₅
• 分子量: 1352.61
• InChiKey: HCYITQWVVDFTCI-WERRPKLPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.71
• 重原子数：
  91.0
• 可旋转键数：
  22.0
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  332.76
• 氢给体数：
  6.0
• 氢受体数：
  19.0

反应信息

• 作为反应物：
  描述：

  乙酰氯 、 2''-O-acetyl-4'',6''-O-benzylidene-1,3,2',6',3''-penta-N-tosyldibekacin 在 4,4'-二氨基二苯乙烯-2,2'-二磺酸 作用下， 以 二氯甲烷 为溶剂， 反应 2.5h， 以83%的产率得到
  参考文献：
  名称：

  Synthesis of 2″-acylamido derivatives of 2″-amino-5,2″-dideoxy-5-epi-5-fluorodibekacin and a study on the structures of 5-fluorinated dibekacin analogs by 13C NMR

  摘要：

  Several 2 ''-amino-2 ''-deoxy and 2 ''-acylamido-2 ''-deoxy derivatives (15-21) of 5-deoxy-5-epi-5-fluorodibekacin have been prepared, introducing the 2 ''-NH2, up via oxidation-methoxyimination-reduction processes. The C-4 and C-6 chemical shifts in the C-13 NMR spectra of several 5-fluorinated kanamycin analogs have been studied, and the difference in shifts was explained on the basis of F-5-O-4 and F-5-O-6 distances estimated by MOPAC93/PM3 calculations on related model compounds. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0008-6215(97)00031-1
• 作为产物：
  描述：

  penta-N-tosyldibekacin 在 对甲苯磺酸 作用下， 以 吡啶 、 N,N-二甲基甲酰胺 为溶剂， 反应 3.0h， 生成 2''-O-acetyl-4'',6''-O-benzylidene-1,3,2',6',3''-penta-N-tosyldibekacin
  参考文献：
  名称：

  Synthesis of 2″-acylamido derivatives of 2″-amino-5,2″-dideoxy-5-epi-5-fluorodibekacin and a study on the structures of 5-fluorinated dibekacin analogs by 13C NMR

  摘要：

  Several 2 ''-amino-2 ''-deoxy and 2 ''-acylamido-2 ''-deoxy derivatives (15-21) of 5-deoxy-5-epi-5-fluorodibekacin have been prepared, introducing the 2 ''-NH2, up via oxidation-methoxyimination-reduction processes. The C-4 and C-6 chemical shifts in the C-13 NMR spectra of several 5-fluorinated kanamycin analogs have been studied, and the difference in shifts was explained on the basis of F-5-O-4 and F-5-O-6 distances estimated by MOPAC93/PM3 calculations on related model compounds. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0008-6215(97)00031-1