4-[16-(Dibutylamino)-4,13-dioxa-6-azapentacyclo[10.7.1.03,7.08,20.014,19]icosa-1,3(7),5,8(20),9,11,14(19),15,17-nonaen-5-yl]benzonitrile | 744216-73-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: 4-[16-(Dibutylamino)-4,13-dioxa-6-azapentacyclo[10.7.1.03,7.08,20.014,19]icosa-1,3(7),5,8(20),9,11,14(19),15,17-nonaen-5-yl]benzonitrile
• CAS: 744216-73-7
• 化学式: C₃₂H₂₉N₃O₂
• 分子量: 487.601
• InChiKey: UENVSCASYNNPMH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.3
• 重原子数：
  37
• 可旋转键数：
  8
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  62.3
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  9-(dibutylamino)benzo[kl]xanthene-2,3-dione 、 4-氰基苯甲醛 在 ammonium acetate 、 溶剂黄146 、 sodium carbonate 作用下， 以 水 为溶剂， 反应 7.0h， 以9%的产率得到4-[16-(Dibutylamino)-4,13-dioxa-6-azapentacyclo[10.7.1.03,7.08,20.014,19]icosa-1,3(7),5,8(20),9,11,14(19),15,17-nonaen-5-yl]benzonitrile
  参考文献：
  名称：

  EP1593675

  摘要：

  公开号：

文献信息

• HETERO-POLYCYCLIC COMPOUNDS, AND COLORING MATTERS, PIGMENTS, DYES, COLOR-CHANGING MATERIAL COMPOSITIONS, AND COLOR-CHANGING FILMS, MADE BY USING THE COMPOUNDS
  申请人：YOSHIDA Katsuhira

  公开号：US20080290329A1

  公开（公告）日：2008-11-27

  Provided are novel hetero-polycyclic compounds having a specific structure, color-changing material compositions comprising (A) a fluorescent coloring matter comprising at least one of the hetero-polycyclic compounds described above and (B) a binder material, color-changing films comprising the above hetero-polycyclic compounds, coloring matters comprising the above hetero-polycyclic compounds, and pigments or dyes comprising the hetero-polycyclic compounds described above, and provided are color-changing material compositions which are not deteriorated in a color-changing performance even after used for long time and which are prevented from being unusable due to deposition of coloring matters during storage and color-changing films produced by using the same, and novel hetero-polycyclic compounds, coloring matters and pigments or dyes which actualize them.
• US7420065B2
  申请人：——

  公开号：US7420065B2

  公开（公告）日：2008-09-02
• EP1593675
  申请人：——

  公开号：——

  公开（公告）日：——