15-{(4-Dibenzylamino-butyl)-[3-(trityl-amino)-propyl]-carbamoyl}-pentadecanoic acid 2-oxo-2-phenyl-ethyl ester | 443770-19-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 三苯基化合物
• 英文名称: 15-{(4-Dibenzylamino-butyl)-[3-(trityl-amino)-propyl]-carbamoyl}-pentadecanoic acid 2-oxo-2-phenyl-ethyl ester
• 英文别名: Phenacyl 16-[4-(dibenzylamino)butyl-[3-(tritylamino)propyl]amino]-16-oxohexadecanoate；phenacyl 16-[4-(dibenzylamino)butyl-[3-(tritylamino)propyl]amino]-16-oxohexadecanoate
• CAS: 443770-19-2
• 化学式: C₆₄H₇₉N₃O₄
• 分子量: 954.349
• InChiKey: HOAKMDISPMYZSD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  15.4
• 重原子数：
  71
• 可旋转键数：
  36
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  79
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  15-{(4-Dibenzylamino-butyl)-[3-(trityl-amino)-propyl]-carbamoyl}-pentadecanoic acid 2-oxo-2-phenyl-ethyl ester 在 咪唑 、 sodium hydride 、 苯硫酚 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以60%的产率得到15-{(4-dibenzylamino-butyl)-[3-(trityl-amino)-propyl]-carbamoyl}-pentadecanoic acid
  参考文献：
  名称：

  Simple syntheses of the polyamine alkaloid tenuilobine and analogues using selectively N-tritylated polyamines and dicarboxylic acids as bridging elements

  摘要：

  Selectively N-tritylated spermidine and spermine derivatives and the monophenacyl ester of 1,16-hexadecanedioic acid (Hda) were used to obtain the polyamine alkaloid tenuilobine and its fully reduced analogue. Other symmetric or side-chain-shortened tenuilobine analogues were readily obtained by using Hda or its dichloride or succinic anhydride to bridge the polyamine moieties. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(02)00338-6
• 作为产物：
  描述：

  十六碳二酸 在 N,N-二异丙基乙胺 、 bromo-tris(1-pyrrolidinyl)phosphonium hexafluorophosphate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 27.5h， 生成 15-{(4-Dibenzylamino-butyl)-[3-(trityl-amino)-propyl]-carbamoyl}-pentadecanoic acid 2-oxo-2-phenyl-ethyl ester
  参考文献：
  名称：

  Simple syntheses of the polyamine alkaloid tenuilobine and analogues using selectively N-tritylated polyamines and dicarboxylic acids as bridging elements

  摘要：

  Selectively N-tritylated spermidine and spermine derivatives and the monophenacyl ester of 1,16-hexadecanedioic acid (Hda) were used to obtain the polyamine alkaloid tenuilobine and its fully reduced analogue. Other symmetric or side-chain-shortened tenuilobine analogues were readily obtained by using Hda or its dichloride or succinic anhydride to bridge the polyamine moieties. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(02)00338-6