4-Nitro-3-[4-(1,4,7,10,13,16,19,22-octaoxa-25-azacycloheptacos-25-ylmethyl)phenyl]-1-phenylbutan-1-one | 934161-03-2

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 直链 1,3-二芳基丙烷
• 英文名称: 4-Nitro-3-[4-(1,4,7,10,13,16,19,22-octaoxa-25-azacycloheptacos-25-ylmethyl)phenyl]-1-phenylbutan-1-one
• CAS: 934161-03-2
• 化学式: C₃₅H₅₂N₂O₁₁
• 分子量: 676.805
• InChiKey: VZAPYFUMUCAYNG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  48
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.63
• 拓扑面积：
  140
• 氢给体数：
  0
• 氢受体数：
  12

反应信息

• 作为反应物：
  描述：

  4-Nitro-3-[4-(1,4,7,10,13,16,19,22-octaoxa-25-azacycloheptacos-25-ylmethyl)phenyl]-1-phenylbutan-1-one 在 氢氧化钾 、 硫酸 、 ammonium acetate 、 溶剂黄146 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 反应 2.5h， 以49%的产率得到25-[[4-(5-phenyl-1H-pyrrol-3-yl)phenyl]methyl]-1,4,7,10,13,16,19,22-octaoxa-25-azacycloheptacosane
  参考文献：
  名称：

  Visible Fluorescence Chemosensor for Saxitoxin

  摘要：

  Absorption spectra of a number of shellfish extracts have been obtained and reveal prominent absorptions in all samples at 210 and 260 nm and at 325 nm in some of them. These absorptions preclude the use of chromophores with similar absorptions in testing of shellfish samples for paralytic shellfish toxins. Two crown ether chemosensors featuring a boron azadipyrrin chromophore have been synthesized; both have absorption maxima at 650 nm, where all the shellfish extracts are transparent. The synthetic sensors feature either 18- or 27-membered crown ether rings and have been evaluated as visible sensors for the paralytic shellfish toxin saxitoxin. The binding constant for one of them is in the range of 3-9 x 10(5) M-1 and exhibits a fluorescence enhancement of over 100% at 680 nm in the presence of 40 mu M saxitoxin.

  DOI：

  10.1021/jo062506r
• 作为产物：
  描述：

  4-溴甲基苯甲醛 在 sodium hydroxide 、 caesium carbonate 、 二乙胺 作用下， 以 甲醇 、 乙腈 为溶剂， 反应 33.5h， 生成 4-Nitro-3-[4-(1,4,7,10,13,16,19,22-octaoxa-25-azacycloheptacos-25-ylmethyl)phenyl]-1-phenylbutan-1-one
  参考文献：
  名称：

  Visible Fluorescence Chemosensor for Saxitoxin

  摘要：

  Absorption spectra of a number of shellfish extracts have been obtained and reveal prominent absorptions in all samples at 210 and 260 nm and at 325 nm in some of them. These absorptions preclude the use of chromophores with similar absorptions in testing of shellfish samples for paralytic shellfish toxins. Two crown ether chemosensors featuring a boron azadipyrrin chromophore have been synthesized; both have absorption maxima at 650 nm, where all the shellfish extracts are transparent. The synthetic sensors feature either 18- or 27-membered crown ether rings and have been evaluated as visible sensors for the paralytic shellfish toxin saxitoxin. The binding constant for one of them is in the range of 3-9 x 10(5) M-1 and exhibits a fluorescence enhancement of over 100% at 680 nm in the presence of 40 mu M saxitoxin.

  DOI：

  10.1021/jo062506r