1-[4-(1,4,7,10-tetraoxa-13-aza-cyclopentadec-13-yl)-phenyl]-ethanone | 877467-44-2

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-[4-(1,4,7,10-tetraoxa-13-aza-cyclopentadec-13-yl)-phenyl]-ethanone
• 英文别名: 1-[4-(1,4,7,10-Tetraoxa-13-azacyclopentadec-13-yl)phenyl]ethanone
• CAS: 877467-44-2
• 化学式: C₁₈H₂₇NO₅
• 分子量: 337.416
• InChiKey: LBJIOMKKYLLNDD-UHFFFAOYSA-N

物化性质

• 沸点：
  527.1±50.0 °C(Predicted)
• 密度：
  1.064±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  24
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.61
• 拓扑面积：
  57.2
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  1-[4-(1,4,7,10-tetraoxa-13-aza-cyclopentadec-13-yl)-phenyl]-ethanone 在 哌啶 、 乙二醇二甲醚 、 sodium hydride 作用下， 以 乙腈 、 苯 为溶剂， 反应 6.0h， 生成 7-Diethylamino-3-[4-(1,4,7,10-tetraoxa-13-aza-cyclopentadec-13-yl)-benzoyl]-chromen-2-one
  参考文献：
  名称：

  A Highly Selective Fluorescent Chemosensor for Lead Ions

  摘要：

  A simple fluorescent chemosensor 1 exhibits a 40-fold fluorescence enhancement upon addition of lead ion and yet is insensitive to most of univalent and divalent metal ions. The high affinity of 1 toward Pb2+ presumably results from the cooperative binding behaviors of two potential metal binding sites: the dicarbonyl and the 15-monoazacrown-5 ether.

  DOI：

  10.1021/ja025710e
• 作为产物：
  描述：

  三乙二醇 在 氢氧化钾 、 sodium t-butanolate 、 叔丁醇 作用下， 以 四氢呋喃 、 1,4-二氧六环 为溶剂， 反应 13.0h， 生成 1-[4-(1,4,7,10-tetraoxa-13-aza-cyclopentadec-13-yl)-phenyl]-ethanone
  参考文献：
  名称：

  A Highly Selective Fluorescent Chemosensor for Lead Ions

  摘要：

  A simple fluorescent chemosensor 1 exhibits a 40-fold fluorescence enhancement upon addition of lead ion and yet is insensitive to most of univalent and divalent metal ions. The high affinity of 1 toward Pb2+ presumably results from the cooperative binding behaviors of two potential metal binding sites: the dicarbonyl and the 15-monoazacrown-5 ether.

  DOI：

  10.1021/ja025710e

文献信息

• Design and synthesis of iridium(iii) azacrown complex: application as a highly sensitive metal cation phosphorescence sensor
  作者：Mei-Lin Ho、Fu-Ming Hwang、Pei-Nung Chen、Ya-Hui Hu、Yi-Ming Cheng、Kung-Shih Chen、Gene-Hsiang Lee、Yun Chi、Pi-Tai Chou

  DOI：10.1039/b511943j

  日期：——

  A new metal cation probe 1 bearing a central Ir(III) element and 1-aza-15-crown-5-ether substituted pyridyl pyrazolate as the chelate was synthesized. The octahedral molecular structure of 1 was confirmed using single crystal X-ray diffraction analyses. Subsequent photophysical study showed yellow-green emission at ∼560 nm in both fluid solution and solid state at room temperature. Remarkable differentiation in spectral properties upon metal cation (e.g. Ca2+) complexation makes complex 1 a highly sensitive phosphorescence probe.

  合成了一种新型金属阳离子探针1，具有中心Ir(III)元素和1-氮杂-15-冠-5-醚取代的吡啶吡唑作为配体。通过单晶X射线衍射分析确认了1的八面体分子结构。后续的光物理研究显示，在室温下，流体溶液和固态均在约560 nm处发出黄绿色荧光。在金属阳离子（如Ca²+）络合时，光谱特性的显著差异使得复合物1成为一种高度灵敏的磷光探针。
• A Highly Selective Fluorescent Chemosensor for Lead Ions
  作者：Chao-Tsen Chen、Wan-Pei Huang

  DOI：10.1021/ja025710e

  日期：2002.6.1

  A simple fluorescent chemosensor 1 exhibits a 40-fold fluorescence enhancement upon addition of lead ion and yet is insensitive to most of univalent and divalent metal ions. The high affinity of 1 toward Pb2+ presumably results from the cooperative binding behaviors of two potential metal binding sites: the dicarbonyl and the 15-monoazacrown-5 ether.