9,10-Bis[2-(trifluoroacetyl)-4-(tert-butoxycarbonylmethoxy)phenylcarbamoylmethyl]anthracene | 1014975-05-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 蒽
• 英文名称: 9,10-Bis[2-(trifluoroacetyl)-4-(tert-butoxycarbonylmethoxy)phenylcarbamoylmethyl]anthracene
• 英文别名: tert-butyl 2-[4-[[2-[10-[2-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]-2-(2,2,2-trifluoroacetyl)anilino]-2-oxoethyl]anthracen-9-yl]acetyl]amino]-3-(2,2,2-trifluoroacetyl)phenoxy]acetate
• CAS: 1014975-05-3
• 化学式: C₄₆H₄₂F₆N₂O₁₀
• 分子量: 896.837
• InChiKey: UFJUJVRSHPCFDM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.4
• 重原子数：
  64
• 可旋转键数：
  18
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  163
• 氢给体数：
  2
• 氢受体数：
  16

反应信息

• 作为产物：
  描述：

  tert-butyl 2-(4-amino-3-(2,2,2-trifluoroacetyl)phenoxy)acetate 、 9,10-bis(carboxymethyl)anthracene 在 氯化亚砜 、 potassium carbonate 作用下， 以 四氢呋喃 为溶剂， 反应 4.0h， 生成 9,10-Bis[2-(trifluoroacetyl)-4-(tert-butoxycarbonylmethoxy)phenylcarbamoylmethyl]anthracene
  参考文献：
  名称：

  A Rational Approach to Fluorescence “Turn-On” Sensing of α-Amino-carboxylates

  摘要：

  A rational approach to fluorescence turn-on sensing of amino carboxylates is described, which primarily relies on the perturbation of the quenching n-pi* transiton energy level of a carbonyl ionophore relative to the pi-pi* transition energy level of an anthracene in the sensor. The anthracene-based bis (trifluoroacetylcarboxanilide) sensor is structurally simple but selectively senses alpha-amino acids as their carboxylate forms over beta and gamma-homologues, by forming a (1:1)-cyclic adduct with a large fluorescence enhancement factor of 110.

  DOI：

  10.1021/ja078308e

文献信息

• A Rational Approach to Fluorescence “Turn-On” Sensing of α-Amino-carboxylates
  作者：Dowook Ryu、Eunju Park、Dae-Sik Kim、Shihai Yan、Jin Yong Lee、Byoung-Yong Chang、Kyo Han Ahn

  DOI：10.1021/ja078308e

  日期：2008.2.1

  A rational approach to fluorescence turn-on sensing of amino carboxylates is described, which primarily relies on the perturbation of the quenching n-pi* transiton energy level of a carbonyl ionophore relative to the pi-pi* transition energy level of an anthracene in the sensor. The anthracene-based bis (trifluoroacetylcarboxanilide) sensor is structurally simple but selectively senses alpha-amino acids as their carboxylate forms over beta and gamma-homologues, by forming a (1:1)-cyclic adduct with a large fluorescence enhancement factor of 110.