| 1343505-45-2

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• CAS: 1343505-45-2
• 化学式: C₄₃H₅₈N₂O₉
• 分子量: 746.942
• InChiKey: DOPQSFHPXLTGPK-YDVYFDBXSA-N

物化性质

• 沸点：
  813.3±65.0 °C(predicted)
• 密度：
  1.126±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  6.94
• 重原子数：
  54.0
• 可旋转键数：
  19.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.49
• 拓扑面积：
  129.7
• 氢给体数：
  1.0
• 氢受体数：
  9.0

反应信息

• 作为反应物：
  描述：

  在 N-羟基-7-氮杂苯并三氮唑 、 水 、 N,N-二异丙基乙胺 、 Methanaminium,N-[(dimethylamino)(3H-1,2,3-triazolo[4,5-b]pyridin-3-yloxy)methylene]-N-methyl-, hexafluorophosphate(1-) 、 三氟乙酸 、 lithium hydroxide 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 、 叔丁醇 为溶剂， 反应 74.0h， 生成
  参考文献：
  名称：

  Synthetic studies of stereocalpin A and its C5-epimer: total synthesis of 11-epi- and 5,11-diepi-stereocalpin A

  摘要：

  This Letter describes the synthetic studies of stereocalpin A and its C5-epimer. After various cyclization attempts, successful macrolactamization at 9-10 position was tried inorder to obtain stereocalpin A and its C5-epimer, which were accompanied by complete racemization and resulted in the synthesis of 11-epi- and 5,11-diepi-stereocalpin A. Highly functionalized octanoic acid motif of the depsipeptide was constructed by applying Paterson's aldol methodology, owing to its diversity in synthesizing various analogs of aliphatic acid. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2011.08.158
• 作为产物：
  描述：

  (4R,5S,6R,7S)-6-((4-methoxybenzyl)oxy)-5,7-dimethyl-8-(trityloxy)octan-4-ol 在 N-乙基哌啶 、 4-二甲氨基吡啶 、 sodium chlorite 、 sodium dihydrogenphosphate dihydrate 、 2-甲基-2-丁烯 、 2,4,6-三氯苯甲酰氯 、 戴斯-马丁氧化剂 、 对甲苯磺酸 、 三乙胺 、 Methanaminium,N-[(dimethylamino)(3H-1,2,3-triazolo[4,5-b]pyridin-3-yloxy)methylene]-N-methyl-, hexafluorophosphate(1-) 作用下， 以 甲醇 、 二氯甲烷 、 水 、 乙腈 、 叔丁醇 为溶剂， 反应 21.5h， 生成
  参考文献：
  名称：

  Synthetic studies of stereocalpin A and its C5-epimer: total synthesis of 11-epi- and 5,11-diepi-stereocalpin A

  摘要：

  This Letter describes the synthetic studies of stereocalpin A and its C5-epimer. After various cyclization attempts, successful macrolactamization at 9-10 position was tried inorder to obtain stereocalpin A and its C5-epimer, which were accompanied by complete racemization and resulted in the synthesis of 11-epi- and 5,11-diepi-stereocalpin A. Highly functionalized octanoic acid motif of the depsipeptide was constructed by applying Paterson's aldol methodology, owing to its diversity in synthesizing various analogs of aliphatic acid. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2011.08.158