2-[[5-[3-[4-(Dimethylamino)phenyl]-2-benzothiophen-1-yl]thiophen-2-yl]methylidene]propanedinitrile | 876745-03-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 双噻吩和低聚噻吩
• 英文名称: 2-[[5-[3-[4-(Dimethylamino)phenyl]-2-benzothiophen-1-yl]thiophen-2-yl]methylidene]propanedinitrile
• CAS: 876745-03-8
• 化学式: C₂₄H₁₇N₃S₂
• 分子量: 411.551
• InChiKey: YTICKEWEXAVZKY-UHFFFAOYSA-N

物化性质

• 沸点：
  633.7±55.0 °C(Predicted)
• 密度：
  1.305±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  6.1
• 重原子数：
  29
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  107
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  2-[[5-[3-[4-(Dimethylamino)phenyl]-2-benzofuran-1-yl]thiophen-2-yl]methylidene]propanedinitrile 、 丙二腈 在 劳森试剂 、 氧气 、 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 0.5h， 以67%的产率得到2-[[5-[3-[4-(Dimethylamino)phenyl]-2-benzothiophen-1-yl]thiophen-2-yl]methylidene]propanedinitrile
  参考文献：
  名称：

  Near-Infrared Fluorophores Containing Benzo[c]heterocycle Subunits

  摘要：

  The syntheses and spectroscopic properties of eight new push-pull-type near-infrared fluorophores that contain either isobenzofuran or isothianaphthene subunits are presented. The isobenzofuran dyes demonstrate significantly red-shifted absorption compared with their isothianaphthene counterparts, which is attributed to isobenzofuran's more potent pro-quinoidal character.

  DOI：

  10.1021/ol800988w

文献信息

• Heterocyclic Dye Compounds For In Vivo Imaging And Diagnosis Of Alzheimer's Disease
  申请人：Bacskai Brian

  公开号：US20090087376A1

  公开（公告）日：2009-04-02

  The present invention relates to the identification of compounds that are suitable for imaging amyloid deposits in living patients. The invention relates, in part, to a method of imaging amyloid deposits in brain in vivo to allow antemortem diagnosis of Alzheimer's disease. The present invention also relates to therapeutic uses for such compounds, as exemplified by compounds of the formula (1) in which Y is independently S, O, or N and m is 1, 2, or 3.