17-Butyl-6-(dimethylamino)-3-[4-(dimethylamino)phenyl]-17-azahexacyclo[13.6.2.02,11.04,9.012,22.019,23]tricosa-1(21),2(11),3,5,7,9,12(22),13,15(23),19-decaene-16,18-dione | 1109165-69-6

• 分子结构分类: 有机化合物 - 木脂素、新木脂素和相关化合物 - 芳基萘木脂素
• 英文名称: 17-Butyl-6-(dimethylamino)-3-[4-(dimethylamino)phenyl]-17-azahexacyclo[13.6.2.02,11.04,9.012,22.019,23]tricosa-1(21),2(11),3,5,7,9,12(22),13,15(23),19-decaene-16,18-dione
• 英文别名: 17-butyl-6-(dimethylamino)-3-[4-(dimethylamino)phenyl]-17-azahexacyclo[13.6.2.02,11.04,9.012,22.019,23]tricosa-1(21),2(11),3,5,7,9,12(22),13,15(23),19-decaene-16,18-dione
• CAS: 1109165-69-6
• 化学式: C₃₆H₃₃N₃O₂
• 分子量: 539.677
• InChiKey: HQBPIZPJQDTKJX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.9
• 重原子数：
  41
• 可旋转键数：
  6
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  43.9
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  N-butyl-4,5-di(p-N',N-dimethylphenylethynyl)-1,8-naphthalimide 以 氯仿 为溶剂， 反应 0.17h， 以25%的产率得到17-Butyl-6-(dimethylamino)-3-[4-(dimethylamino)phenyl]-17-azahexacyclo[13.6.2.02,11.04,9.012,22.019,23]tricosa-1(21),2(11),3,5,7,9,12(22),13,15(23),19-decaene-16,18-dione
  参考文献：
  名称：

  Novel naphthalimide derivatives with near-infrared emission: synthesis via photochemical cycloaromatization, fluorescence in solvents and living cell

  摘要：

  In this Letter, a pair of novel naphthalimide derivatives with long-wavelength emission (>600 nm) and larger Stokes shift (>140 nm) have been developed through the photochemical cycloaromatization, in which intramolecular radical-induced 1,3-aromatic hydrogen transfer might be occurred. Cell uptake experiments showed that dye 2 could be used as a potential NIR fluorescence imaging agent. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2008.10.022

文献信息

• Novel naphthalimide derivatives with near-infrared emission: synthesis via photochemical cycloaromatization, fluorescence in solvents and living cell
  作者：Liping Duan、Yufang Xu、Xuhong Qian、Yexiang Zhang、Yang Liu

  DOI：10.1016/j.tetlet.2008.10.022

  日期：2009.1

  In this Letter, a pair of novel naphthalimide derivatives with long-wavelength emission (>600 nm) and larger Stokes shift (>140 nm) have been developed through the photochemical cycloaromatization, in which intramolecular radical-induced 1,3-aromatic hydrogen transfer might be occurred. Cell uptake experiments showed that dye 2 could be used as a potential NIR fluorescence imaging agent. (C) 2008 Elsevier Ltd. All rights reserved.