ethyl 12-(naphthalen-1-ylamino)dodecanoate | 1260653-62-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: ethyl 12-(naphthalen-1-ylamino)dodecanoate
• CAS: 1260653-62-0
• 化学式: C₂₄H₃₅NO₂
• 分子量: 369.547
• InChiKey: ULQKSMKGFGPYJF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.7
• 重原子数：
  27
• 可旋转键数：
  15
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  38.3
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  ethyl 12-(naphthalen-1-ylamino)dodecanoate 在 水 、 sodium hydroxide 作用下， 以 1,4-二氧六环 为溶剂， 以90%的产率得到12-(naphthalen-1-ylamino)dodecanoic acid
  参考文献：
  名称：

  Novel DNA fluorescence probes based on N-[5-(11-functionalised-undecylamino)-9H-benzo[a]phenoxazin-9-ylidene]propan-1-aminium chlorides: synthesis and photophysical studies

  摘要：

  Fluorescent benzo[a]phenoxazinium chlorides possessing undecylamino chains with functionalised ending-groups (hydroxyl, carboxylic acid and the ester group) as substituents at the 5-position of the heterocycles were successfully synthesised and characterised. These compounds were used in photophysical studies with DNA, and compared to the corresponding analogue with a non-functionalised terminal (methyl group). It was found that the functionalised terminal exerts a dramatic influence on the type of interaction with the hydroxyl group promoting intercalation, while the ester group promotes groove binding. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2010.10.165
• 作为产物：
  描述：

  乙醇 、 12-溴十二烷酸 、 1-萘胺 以70%的产率得到ethyl 12-(naphthalen-1-ylamino)dodecanoate
  参考文献：
  名称：

  Novel DNA fluorescence probes based on N-[5-(11-functionalised-undecylamino)-9H-benzo[a]phenoxazin-9-ylidene]propan-1-aminium chlorides: synthesis and photophysical studies

  摘要：

  Fluorescent benzo[a]phenoxazinium chlorides possessing undecylamino chains with functionalised ending-groups (hydroxyl, carboxylic acid and the ester group) as substituents at the 5-position of the heterocycles were successfully synthesised and characterised. These compounds were used in photophysical studies with DNA, and compared to the corresponding analogue with a non-functionalised terminal (methyl group). It was found that the functionalised terminal exerts a dramatic influence on the type of interaction with the hydroxyl group promoting intercalation, while the ester group promotes groove binding. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2010.10.165