[(2S,3R,4S,6R)-4-(dimethylamino)-2-[[(1S,2R,5R,6S,7S,8R,9R,11R,12S,13R,14R)-2-ethyl-6,12-dihydroxy-9-methoxy-1,5,7,9,11,12,13-heptamethyl-4,16-dioxo-15-(4-phenylbutyl)-3,17-dioxa-15-azabicyclo[12.3.0]heptadecan-8-yl]oxy]-6-methyloxan-3-yl] acetate | 852361-91-2

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: [(2S,3R,4S,6R)-4-(dimethylamino)-2-[[(1S,2R,5R,6S,7S,8R,9R,11R,12S,13R,14R)-2-ethyl-6,12-dihydroxy-9-methoxy-1,5,7,9,11,12,13-heptamethyl-4,16-dioxo-15-(4-phenylbutyl)-3,17-dioxa-15-azabicyclo[12.3.0]heptadecan-8-yl]oxy]-6-methyloxan-3-yl] acetate
• CAS: 852361-91-2
• 化学式: C₄₄H₇₂N₂O₁₁
• 分子量: 805.062
• InChiKey: SAZLSIPKJDLBNG-KLXPLROHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.4
• 重原子数：
  57
• 可旋转键数：
  12
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  154
• 氢给体数：
  2
• 氢受体数：
  12

反应信息

• 作为反应物：
  描述：

  [(2S,3R,4S,6R)-4-(dimethylamino)-2-[[(1S,2R,5R,6S,7S,8R,9R,11R,12S,13R,14R)-2-ethyl-6,12-dihydroxy-9-methoxy-1,5,7,9,11,12,13-heptamethyl-4,16-dioxo-15-(4-phenylbutyl)-3,17-dioxa-15-azabicyclo[12.3.0]heptadecan-8-yl]oxy]-6-methyloxan-3-yl] acetate 在 甲醇 、 戴斯-马丁氧化剂 作用下， 以 二氯甲烷 为溶剂， 生成 (1S,2R,5R,7R,8R,9R,11R,12S,13R,14R)-8-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-12-hydroxy-9-methoxy-1,5,7,9,11,12,13-heptamethyl-15-(4-phenylbutyl)-3,17-dioxa-15-azabicyclo[12.3.0]heptadecane-4,6,16-trione
  参考文献：
  名称：

  The synthesis of (9S)-9-alkyl-9-hydroxyerythromycin A derivatives and their ketolides

  摘要：

  A short, concise synthesis of a novel series of (9S)-9-alkyl-9-hydroxyerytliromycin A derivatives and their corresponding ketolides, is described. The key chemical transformation is a stereoselective addition of organomagnesium or organolithium agents to the 9-position of the suitably protected macrolide templates 8 and 13. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2005.02.162
• 作为产物：
  描述：

  在 盐酸 、 三乙胺 作用下， 以 二氯甲烷 为溶剂， 生成 [(2S,3R,4S,6R)-4-(dimethylamino)-2-[[(1S,2R,5R,6S,7S,8R,9R,11R,12S,13R,14R)-2-ethyl-6,12-dihydroxy-9-methoxy-1,5,7,9,11,12,13-heptamethyl-4,16-dioxo-15-(4-phenylbutyl)-3,17-dioxa-15-azabicyclo[12.3.0]heptadecan-8-yl]oxy]-6-methyloxan-3-yl] acetate
  参考文献：
  名称：

  The synthesis of (9S)-9-alkyl-9-hydroxyerythromycin A derivatives and their ketolides

  摘要：

  A short, concise synthesis of a novel series of (9S)-9-alkyl-9-hydroxyerytliromycin A derivatives and their corresponding ketolides, is described. The key chemical transformation is a stereoselective addition of organomagnesium or organolithium agents to the 9-position of the suitably protected macrolide templates 8 and 13. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2005.02.162