16,23-Dibutyl-3,7,16,23-tetrazaheptacyclo[12.10.2.13,7.02,13.018,26.021,25.012,27]heptacosa-1,12(27),13,18(26),19,21(25)-hexaene-15,17,22,24-tetrone | 1260499-15-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 16,23-Dibutyl-3,7,16,23-tetrazaheptacyclo[12.10.2.13,7.02,13.018,26.021,25.012,27]heptacosa-1,12(27),13,18(26),19,21(25)-hexaene-15,17,22,24-tetrone
• CAS: 1260499-15-7
• 化学式: C₃₁H₃₄N₄O₄
• 分子量: 526.635
• InChiKey: LGXHHTGWBUHHEI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5
• 重原子数：
  39
• 可旋转键数：
  6
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  82.9
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  1,8-二氮杂双环[5.4.0]十一碳-7-烯 、 N,N'-dibutyl-1,4,5,8-naphthalenetetracarboxylic acid diimide 在 copper(l) iodide 作用下， 以 四氢呋喃 、 甲苯 为溶剂， 反应 24.0h， 以20%的产率得到16,23-Dibutyl-3,7,16,23-tetrazaheptacyclo[12.10.2.13,7.02,13.018,26.021,25.012,27]heptacosa-1,12(27),13,18(26),19,21(25)-hexaene-15,17,22,24-tetrone
  参考文献：
  名称：

  An Unusual Addition Reaction for Constructing a Novel pH-Controlled Fluorescence Switch

  摘要：

  A pH-controlled fluorescence switch based on a core-substituted naphthalenediimide compound (NDI-DBU) was constructed. The novel pentacyclic compound (NDI-DBU) was derived from naphthalenediimide (NDI) and 1,8-diazabicyclo[5.4.0]undec-7-ene (DBU) in only one synthetic operation, catalysized by CuI.

  DOI：

  10.1021/ol102742f

文献信息

• An Unusual Addition Reaction for Constructing a Novel pH-Controlled Fluorescence Switch
  作者：Chunjie Zhou、Yongjun Li、Yingjie Zhao、Jianhong Zhang、Wenlong Yang、Yuliang Li

  DOI：10.1021/ol102742f

  日期：2011.1.21

  A pH-controlled fluorescence switch based on a core-substituted naphthalenediimide compound (NDI-DBU) was constructed. The novel pentacyclic compound (NDI-DBU) was derived from naphthalenediimide (NDI) and 1,8-diazabicyclo[5.4.0]undec-7-ene (DBU) in only one synthetic operation, catalysized by CuI.