1-(2-methoxy-2-oxoethyl)-2,3,3-trimethyl-3H-indol-1-ium bromide | 1224096-80-3

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 1-(2-methoxy-2-oxoethyl)-2,3,3-trimethyl-3H-indol-1-ium bromide
• CAS: 1224096-80-3
• 化学式: Br*C₁₄H₁₈NO₂
• 分子量: 312.206
• InChiKey: VKUWQHDZXGXCAG-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -0.74
• 重原子数：
  18.0
• 可旋转键数：
  2.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  29.31
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  1-(2-methoxy-2-oxoethyl)-2,3,3-trimethyl-3H-indol-1-ium bromide 在 吡啶 作用下， 以 甲苯 、 正丁醇 为溶剂， 生成 1,2,3,3-tetramethyl-3H-indolium
  参考文献：
  名称：

  1-(Carbamoylmethyl)-3H-indolium squaraine dyes: Synthesis, spectra, photo-stability and association with BSA

  摘要：

  Novel, squarylium dyes containing 1-(alkylcarbamoylmethyl)-2,3,3-trimethyl- 3H-indolium groups were synthesized and their UV/Vis and fluorescence spectra. aggregation. photo-stability and association with bovine serum albumin were studied The absorption and emission max wavelengths of the dyes in different solvents were in the range 619-653 nm Compared to a typical ethyl squarylium dye, the introduction of alkylcarbamoylmethyl groups reduced aggregation and improved molar extinction coefficient, fluorescence quantum yield and photo-stability in water. Moreover, the fluorescence intensity of the dyes increased upon the addition of BSA in pH 7.0 phosphate buffer solution An excellent linear relationship (r(2) = 0.9982) was obtained between fluorescence intensity and bovine serum albumin concentration. (C) 2009 Elsevier Ltd All rights reserved.

  DOI：

  10.1016/j.dyepig.2009.10.002
• 作为产物：
  描述：

  2,3,3-三甲基-3H-吲哚 、 溴乙酸甲酯 以 甲苯 为溶剂， 反应 24.0h， 以56%的产率得到1-(2-methoxy-2-oxoethyl)-2,3,3-trimethyl-3H-indol-1-ium bromide
  参考文献：
  名称：

  1-(Carbamoylmethyl)-3H-indolium squaraine dyes: Synthesis, spectra, photo-stability and association with BSA

  摘要：

  Novel, squarylium dyes containing 1-(alkylcarbamoylmethyl)-2,3,3-trimethyl- 3H-indolium groups were synthesized and their UV/Vis and fluorescence spectra. aggregation. photo-stability and association with bovine serum albumin were studied The absorption and emission max wavelengths of the dyes in different solvents were in the range 619-653 nm Compared to a typical ethyl squarylium dye, the introduction of alkylcarbamoylmethyl groups reduced aggregation and improved molar extinction coefficient, fluorescence quantum yield and photo-stability in water. Moreover, the fluorescence intensity of the dyes increased upon the addition of BSA in pH 7.0 phosphate buffer solution An excellent linear relationship (r(2) = 0.9982) was obtained between fluorescence intensity and bovine serum albumin concentration. (C) 2009 Elsevier Ltd All rights reserved.

  DOI：

  10.1016/j.dyepig.2009.10.002