Undec-10-ynoic acid (S)-3-benzyloxy-2-[4-(4-methoxy-phenyl)-butyryloxy]-propyl ester | 183145-05-3

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 甘油脂
• 英文名称: Undec-10-ynoic acid (S)-3-benzyloxy-2-[4-(4-methoxy-phenyl)-butyryloxy]-propyl ester
• CAS: 183145-05-3
• 化学式: C₃₂H₄₂O₆
• 分子量: 522.682
• InChiKey: BRIYCBKCFIMCMV-PMERELPUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.44
• 重原子数：
  38.0
• 可旋转键数：
  20.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  71.06
• 氢给体数：
  0.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  Undec-10-ynoic acid (S)-3-benzyloxy-2-[4-(4-methoxy-phenyl)-butyryloxy]-propyl ester 在 palladium on activated charcoal 四甲基乙二胺 、 氢气 、 氧气 、 copper(l) chloride 作用下， 以 乙醇 、 溶剂黄146 、 乙酸乙酯 、 xylene 为溶剂， 反应 0.75h， 生成 Docosanedioic acid bis-{(S)-3-hydroxy-2-[4-(4-methoxy-phenyl)-butyryloxy]-propyl} ester
  参考文献：
  名称：

  Synthesis of Defective Phospholipids

  摘要：

  Phospholipids have been synthesized that possess a normal 16-carbon chain plus a ''defective'' chain only 8 or 12 carbons long and terminated with methoxyl, hydroxyl, or carboxyl groups. In addition, dimeric phospholipids have been prepared in which two phospholipid units are joined at position-1 with chains of 22 or 32 carbons while unconnected chains at position-2 are, once again, short and functionalized. These phospholipids are potentially useful for constructing membranes that contain cavities or irregularities and, therefore, are capable of serving as self-assembled host systems in which drugs and other guest molecules are retained and, perhaps, eventually released.

  DOI：

  10.1021/jo9605455
• 作为产物：
  描述：

  10-十一碳炔酸 在 4-二甲氨基吡啶 、 N,N'-二环己基碳二亚胺 作用下， 以 二氯甲烷 为溶剂， 生成 Undec-10-ynoic acid (S)-3-benzyloxy-2-[4-(4-methoxy-phenyl)-butyryloxy]-propyl ester
  参考文献：
  名称：

  Synthesis of Defective Phospholipids

  摘要：

  Phospholipids have been synthesized that possess a normal 16-carbon chain plus a ''defective'' chain only 8 or 12 carbons long and terminated with methoxyl, hydroxyl, or carboxyl groups. In addition, dimeric phospholipids have been prepared in which two phospholipid units are joined at position-1 with chains of 22 or 32 carbons while unconnected chains at position-2 are, once again, short and functionalized. These phospholipids are potentially useful for constructing membranes that contain cavities or irregularities and, therefore, are capable of serving as self-assembled host systems in which drugs and other guest molecules are retained and, perhaps, eventually released.

  DOI：

  10.1021/jo9605455