bis{2-[(1R,3S)-2,2-dimethyl-3-(2-oxopropyl)cyclopropyl]ethyl} hexanedioate | 1338461-34-9

• 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
• 英文名称: bis{2-[(1R,3S)-2,2-dimethyl-3-(2-oxopropyl)cyclopropyl]ethyl} hexanedioate
• CAS: 1338461-34-9
• 化学式: C₂₆H₄₂O₆
• 分子量: 450.616
• InChiKey: JFWMAZZEPHSLIA-CZYKHXBRSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.92
• 重原子数：
  32.0
• 可旋转键数：
  15.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.85
• 拓扑面积：
  86.74
• 氢给体数：
  0.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  bis{2-[(1R,3S)-2,2-dimethyl-3-(2-oxopropyl)cyclopropyl]ethyl} hexanedioate 在 一水合肼 作用下， 以 1,4-二氧六环 为溶剂， 反应 24.0h， 以51%的产率得到(1R,8R,10S,23S)-3,6,9,9,24,24-hexamethyl-13,20-dioxa-4,5-diazatricyclo[21.1.0.08,10]tetracosa-3,5-diene-14,19-dione
  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
• 作为产物：
  描述：

  (-)-2-<(1R,3S)-2,2-Dimethyl-3-(2-oxopropyl)cyclopropyl>ethanol 、 己二酰氯 在 吡啶 作用下， 以 乙醚 为溶剂， 反应 48.0h， 以69%的产率得到bis{2-[(1R,3S)-2,2-dimethyl-3-(2-oxopropyl)cyclopropyl]ethyl} hexanedioate
  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