sodium 7-acetylamino-6-hydroxy-2,2-dimethyl-3a,6,7,7a-tetrahydro-benzo[1 ,3]dioxole-4-carboxylate | 1293981-84-6

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: sodium 7-acetylamino-6-hydroxy-2,2-dimethyl-3a,6,7,7a-tetrahydro-benzo[1 ,3]dioxole-4-carboxylate
• 英文别名: 7-acetylamino-6-hydroxy-2,2-dimethyl-3a,4,7,7a-tetrahydro-benzo[1,3]dioxole-4-carboxylate sodium；sodium (3aR,6R,7R,7aS)-7-acetamido-6-hydroxy-2,2-dimethyl-3a,6,7,7a-tetrahydrobenzo[d][1,3]dioxole-4-carboxylate；Sodium (3aR,6R,7R,7aS)-7-acetamido-6-hydroxy-2,2-dimethyl-3a,6,7,7a-tetrahydrobenzo[d][1,3]dioxole-4-carboxylate；sodium;(3aR,6R,7R,7aS)-7-acetamido-6-hydroxy-2,2-dimethyl-3a,6,7,7a-tetrahydro-1,3-benzodioxole-4-carboxylate
• CAS: 1293981-84-6
• 化学式: C₁₂H₁₆NO₆*Na
• 分子量: 293.252
• InChiKey: LDSZARODMJPLSA-OBKSPUEOSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -4.93
• 重原子数：
  20
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  108
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  ethyl (3aR,6R,7R,7aS)-7-(acetylamino)-6-hydroxy-2,2-dimethyl-3a,6,7,7a-tetrahydro-1,3-benzodioxole-4-carboxylate 在 水 、 sodium hydroxide 作用下， 以 3-戊醇 为溶剂， 反应 4.0h， 以71%的产率得到sodium 7-acetylamino-6-hydroxy-2,2-dimethyl-3a,6,7,7a-tetrahydro-benzo[1 ,3]dioxole-4-carboxylate
  参考文献：
  名称：

  [EN] PROCESS AND COMPOUNDS FOR THE MANUFACTURE OF OSELTAMIVIR AND ANALOGS THEREOF, AND NEW ANTIVIRAL AGENTS
  [FR] PROCÉDÉ ET COMPOSÉS POUR LA FABRICATION D'OSELTAMIVIR ET DE SES ANALOGUES, ET NOUVEAUX AGENTS ANTIVIRAUX

  摘要：

  公开号：

  WO2011047466A8

文献信息

• PROCESS AND COMPOUNDS FOR THE MANUFACTURE OF OSELTAMIVIR AND ANALOGS THEREOF, AND NEW ANTIVIRAL AGENTS
  申请人：Hudlicky Tomas

  公开号：US20120252890A1

  公开（公告）日：2012-10-04

  The present application relates to processes for the preparation of intermediates useful in the manufacture of oseltamivir and the H 3 PO 4 salt of oseltamivir, Tamiflu®. The application further relates to novel intermediate and compounds and oseltamivir analogs and to pharmaceutical compositions comprising said analog compounds. The application further relates to a method of using the novel analogs of oseltamivir to treat or prevent influenza.

  本申请涉及制备中间体的方法，该中间体在奥司他韦和奥司他韦的H3PO4盐（Tamiflu®）的制造中有用。该申请还涉及新型中间体和化合物、奥司他韦类似物以及包含所述类似物化合物的制药组合物。该申请还涉及使用新型奥司他韦类似物治疗或预防流感的方法。
• Process and compounds for the manufacture of oseltamivir and analogs thereof, and new antiviral agents
  申请人：Hudlicky Tomas

  公开号：US08716333B2

  公开（公告）日：2014-05-06

  The present application relates to processes for the preparation of intermediates useful in the manufacture of oseltamivir and the H3PO4 salt of oseltamivir, Tamiflu®. The application further relates to novel intermediate and compounds and oseltamivir analogs and to pharmaceutical compositions comprising said analog compounds. The application further relates to a method of using the novel analogs of oseltamivir to treat or prevent influenza.

  本申请涉及制备在制造奥司他韦和奥司他韦的H3PO4盐中有用的中间体的过程。本申请进一步涉及新颖的中间体和化合物、奥司他韦类似物以及包含该类似物化合物的制药组合物。本申请还涉及使用新颖的奥司他韦类似物治疗或预防流感的方法。
• [EN] PROCESS AND COMPOUNDS FOR THE MANUFACTURE OF OSELTAMIVIR AND ANALOGS THEREOF, AND NEW ANTIVIRAL AGENTS<br/>[FR] PROCÉDÉ ET COMPOSÉS POUR LA FABRICATION D'OSELTAMIVIR ET DE SES ANALOGUES, ET NOUVEAUX AGENTS ANTIVIRAUX
  申请人：UNIV BROCK

  公开号：WO2011047466A8

  公开（公告）日：2012-04-26