2,3-Dimethoxy-5-methyl-6-(7-phenylhepta-4,6-diynyl)cyclohexa-2,5-diene-1,4-dione | 1416169-78-2

• 英文名称: 2,3-Dimethoxy-5-methyl-6-(7-phenylhepta-4,6-diynyl)cyclohexa-2,5-diene-1,4-dione
• CAS: 1416169-78-2
• 化学式: C₂₂H₂₀O₄
• 分子量: 348.398
• InChiKey: MABJQJPQHSINQF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  26
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  52.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  2,3-dimethoxy-5-methyl-6-(pent-4-yn-1-yl)cyclohexa-2,5-diene-1,4-dione 、 苯乙炔 在 copper(l) iodide 、 nickel(II) chloride hexahydrate 、 四甲基乙二胺 作用下， 以 四氢呋喃 为溶剂， 反应 8.0h， 以71%的产率得到2,3-Dimethoxy-5-methyl-6-(7-phenylhepta-4,6-diynyl)cyclohexa-2,5-diene-1,4-dione
  参考文献：
  名称：

  Alkyne-Tag Raman Imaging for Visualization of Mobile Small Molecules in Live Cells

  摘要：

  Alkyne has a unique Raman band that does not overlap with Raman scattering from any endogenous molecule in live cells. Here, we show that alkyne-tag Raman imaging (ATRI) is a promising approach for visualizing nonimmobilized small molecules in live cells. An examination of structure Raman shift/intensity relationships revealed that alkynes conjugated to an aromatic ring and/or to a second allcyne (conjugated diynes) have strong Raman signals in the cellular silent region and can be excellent tags. Using these design guidelines, we synthesized and imaged a series of alkyne-tagged coenzyme Q (CoQ) analogues in live cells. Cellular concentrations of diyne-tagged Coganalogues could be semiquantitatively estimated. Finally, simultaneous imaging of two small molecules, 5-ethynyl-2 '-deoxyuridine (EdU) and a Cog analogue, with distinct Raman tags was demonstrated.

  DOI：

  10.1021/ja308529n