2-(2,2,2-trifluoro-N-phenylacetamide)-6,13-pentacenequinone | 1357766-62-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 2-(2,2,2-trifluoro-N-phenylacetamide)-6,13-pentacenequinone
• 英文别名: 2-(4-aminophenyl)-6,13-pentacenequinone
• CAS: 1357766-62-1
• 化学式: C₂₈H₁₇NO₂
• 分子量: 399.448
• InChiKey: ISJJFMODPVGFPN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.02
• 重原子数：
  31.0
• 可旋转键数：
  1.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  60.16
• 氢给体数：
  1.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  2-(2,2,2-trifluoro-N-phenylacetamide)-6,13-pentacenequinone 、 乙酸酐 在 溶剂黄146 作用下， 反应 2.0h， 以91%的产率得到2-(4-acetamidophenyl)-6,13-pentacenequinone
  参考文献：
  名称：

  New Fluorogenic Sensors for Hg²⁺ Ions: Through-Bond Energy Transfer from Pentaquinone to Rhodamine

  摘要：

  New pentaquinone derivatives 5 and 8 having rhodamine moieties have been designed and synthesized that undergo through-bond energy transfer (TBET) in the presence of Hg2+ ions among the various cations (Cu2+, Pb2+, Fe2+, Fe3+, Zn2+, Ni2+, Cd2+, Co2+, Ag+, Ba2+, Mg2+, K+, Na+, and Li+) tested in mixed aqueous media.

  DOI：

  10.1021/ic201990q
• 作为产物：
  描述：

  2-bromo-6,13-pentacenequinone 、 4-氨基苯硼酸频哪醇酯 在 bis-triphenylphosphine-palladium(II) chloride 、 potassium carbonate 作用下， 以 1,4-二氧六环 、 水 为溶剂， 以32%的产率得到2-(2,2,2-trifluoro-N-phenylacetamide)-6,13-pentacenequinone
  参考文献：
  名称：

  New Fluorogenic Sensors for Hg²⁺ Ions: Through-Bond Energy Transfer from Pentaquinone to Rhodamine

  摘要：

  New pentaquinone derivatives 5 and 8 having rhodamine moieties have been designed and synthesized that undergo through-bond energy transfer (TBET) in the presence of Hg2+ ions among the various cations (Cu2+, Pb2+, Fe2+, Fe3+, Zn2+, Ni2+, Cd2+, Co2+, Ag+, Ba2+, Mg2+, K+, Na+, and Li+) tested in mixed aqueous media.

  DOI：

  10.1021/ic201990q

文献信息

• A pentaquinone based probe for relay recognition of F− and Cu2+ ions: sequential logic operations at the molecular level
  作者：Vandana Bhalla、Roopa、Manoj Kumar

  DOI：10.1039/c3dt51070k

  日期：——

  A pentaquinone based compound (2a) has been synthesized, which can selectively sense F− ions via fluorescence quenching, while the in situ generated deprotonated species of 2a can recognize Cu2+ ions via a fluorescence enhancement. Derivative 2a can also behave as a sequential logic circuit with chemical inputs from F− and Cu2+ ions.

  已合成了基于五羟基醌的化合物（2a），该化合物可通过荧光淬灭选择性检测F-离子，而原位产生的2a去质子化物种可通过荧光增强识别Cu2+离子。衍生物2a还可以作为顺序逻辑电路，从F-和Cu2+离子中获取化学输入。