6-(4'-ethylphenoxy)-5,12-naphthacenequinone | 1309089-66-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 并四苯
• 英文名称: 6-(4'-ethylphenoxy)-5,12-naphthacenequinone
• 英文别名: 6-(4-Ethylphenoxy)tetracene-5,12-dione；6-(4-ethylphenoxy)tetracene-5,12-dione
• CAS: 1309089-66-4
• 化学式: C₂₆H₁₈O₃
• 分子量: 378.427
• InChiKey: KBHPVXZWYATTTG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.4
• 重原子数：
  29
• 可旋转键数：
  3
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  43.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  6-(4'-ethylphenoxy)-5,12-naphthacenequinone 、 氰化四丁基铵 以 乙腈 为溶剂， 反应 44.0h， 以37%的产率得到6,12-dihydroxytetracene-5,11-dicarbonitrile
  参考文献：
  名称：

  A photochromic phenoxyquinone based cyanide ion sensor

  摘要：

  We have developed a new chemosensor system for cyanide ion that is based on a photochromic material. We observed that addition of cyanide anion to a UV irradiated solution of a phenoxynaphthacenequinone derivative brought about a significant change in the absorption spectra that enabled detection of cyanide ion in a selective and sensitive manner. A carbanion intermediate was shown to be responsible for the long wavelength absorption band (630-940 nm) that is generated by cyanide addition. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2011.02.105
• 作为产物：
  描述：

  2-(1-羟基萘-2-羰基)苯甲酸 在 五氯化磷 、 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 14.5h， 生成 6-(4'-ethylphenoxy)-5,12-naphthacenequinone
  参考文献：
  名称：

  A photochromic phenoxyquinone based cyanide ion sensor

  摘要：

  We have developed a new chemosensor system for cyanide ion that is based on a photochromic material. We observed that addition of cyanide anion to a UV irradiated solution of a phenoxynaphthacenequinone derivative brought about a significant change in the absorption spectra that enabled detection of cyanide ion in a selective and sensitive manner. A carbanion intermediate was shown to be responsible for the long wavelength absorption band (630-940 nm) that is generated by cyanide addition. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2011.02.105