(1S,13S,15S,28S)-2,12,14,14,29,29-hexamethyl-18,25-dioxa-3,4,10,11-tetraazatricyclo[26.1.1.113,15]-hentriaconta-2,11-diene-5,9,19,24-tetraone | 1338461-65-6

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 大环内酯类和类似物
• 英文名称: (1S,13S,15S,28S)-2,12,14,14,29,29-hexamethyl-18,25-dioxa-3,4,10,11-tetraazatricyclo[26.1.1.113,15]-hentriaconta-2,11-diene-5,9,19,24-tetraone
• CAS: 1338461-65-6
• 化学式: C₃₁H₅₀N₄O₆
• 分子量: 574.761
• InChiKey: KDPVDNCJQQVSGV-ZGFBMJKBSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.91
• 重原子数：
  41.0
• 可旋转键数：
  0.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.81
• 拓扑面积：
  135.52
• 氢给体数：
  2.0
• 氢受体数：
  8.0

反应信息

• 作为产物：
  描述：

  (+)-2-<(1S,3R)-3-Acetyl-2,2-dimethylcyclobutyl>ethanol 在 吡啶 作用下， 以 1,4-二氧六环 、 乙醚 为溶剂， 反应 96.0h， 生成 (1S,13S,15S,28S)-2,12,14,14,29,29-hexamethyl-18,25-dioxa-3,4,10,11-tetraazatricyclo[26.1.1.113,15]-hentriaconta-2,11-diene-5,9,19,24-tetraone
  参考文献：
  名称：

  Synthesis of macrocyclic azino and dihydrazido diesters by consecutive [2 + 1]- and [1 + 1]-condensations

  摘要：

  Efficient procedures for the synthesis of 21-24- and 28-31-membered macrocyclic azino diesters and dihydrazido diesters were developed starting from L-menthol, Delta(3)-carene, (+)-alpha-pinene, tetrahydropyran, and 4-methyltetrahydropyran. The key steps in these syntheses were consecutive [2 + 1]- and [1 + 1]-condensations. The 31-membered dihydrazido diester exhibited strong antibacterial activity.

  DOI：

  10.1134/s1070428011090260