9-(2-bromomethylphenyl)-3,6-bis(diethylamino)-xanthylium chloride | 1235977-22-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: 9-(2-bromomethylphenyl)-3,6-bis(diethylamino)-xanthylium chloride
• CAS: 1235977-22-6
• 化学式: C₂₈H₃₂BrN₂O*Cl
• 分子量: 527.932
• InChiKey: VJMMLMJQAMELCW-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  3.76
• 重原子数：
  33.0
• 可旋转键数：
  7.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  19.39
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  9-(2-bromomethylphenyl)-3,6-bis(diethylamino)-xanthylium chloride 在 氨 作用下， 以 乙醇 为溶剂， 反应 36.0h， 以85%的产率得到3-N',3-N',6-N',6-N'-tetraethylspiro[1,2-dihydroisoindole-3,9'-xanthene]-3',6'-diamine
  参考文献：
  名称：

  Design and Investigation of a Series of Rhodamine-Based Fluorescent Probes for Optical Measurements of pH

  摘要：

  A series of structurally similar fluorescent probes (1-4), synthesized from rhodamine B, were designed to optically measure pH. Each probe had a unique off-on response as the solution went from basic to acidic. Probes 1-3 exhibited a spirocyclic quenching of the pyronin B fluorophore, whereas probe 4 was quenched by PET from the amine moiety.

  DOI：

  10.1021/ol1011967
• 作为产物：
  描述：

  9-(2-hydroxylmethylphenyl)-3,6-bis(diethylamino)-xanthylium chloride 在 三溴化磷 作用下， 以 氯仿 为溶剂， 以29%的产率得到9-(2-bromomethylphenyl)-3,6-bis(diethylamino)-xanthylium chloride
  参考文献：
  名称：

  Design and Investigation of a Series of Rhodamine-Based Fluorescent Probes for Optical Measurements of pH

  摘要：

  A series of structurally similar fluorescent probes (1-4), synthesized from rhodamine B, were designed to optically measure pH. Each probe had a unique off-on response as the solution went from basic to acidic. Probes 1-3 exhibited a spirocyclic quenching of the pyronin B fluorophore, whereas probe 4 was quenched by PET from the amine moiety.

  DOI：

  10.1021/ol1011967