| 1175533-13-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• CAS: 1175533-13-7
• 化学式: C₂₉H₃₀N₂O₃S
• 分子量: 486.635
• InChiKey: ZYMIIRNRJGAQFK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.62
• 重原子数：
  35.0
• 可旋转键数：
  3.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  63.45
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为产物：
  描述：

  1,2,3,3-tetramethyl-3H-indol-1-ium-5-sulfonate 、 1,1,2,3-四甲基-1H-苯[e]碘化吲哚 、 原甲酸三乙酯 在 溶剂黄146 、 原甲酸三乙酯 、 吡啶 、 乙酸酐 作用下， 反应 8.25h， 生成
  参考文献：
  名称：

  Synthesis of PEG derivatives bearing aminophenyl and their application for liquid-phase synthesis of water-soluble unsymmetrical cyanine dyes

  摘要：

  The synthesis and NMR characterization of Soluble PEG-supported polymers were described, and their subsequent application for liquid-phase synthesis of water-soluble cyanine dyes was also Studied. Nucleophilic Substitution of tosylation of PEG 16 with 1,3-bis(4-nitrophenoxy)-2-propanol 15 tinder basic conditions, followed by nitro group reduction, gave PEG-bound aminophenyl 18. Another PEG-bound aminophenyl 28 was prepared by condensation reaction of PEG-bound pentaerythritol 25 and 4-aminobenzoic acid followed by the cleavage of BOC group. Subsequent loading and activation of sulfoindoleninium to PEG derivatives 18 or 28 were achieved via simple strategies. Cyanine dyes were released by the attack of heterocyclic carbon nucleophile and the cleavage of PEG-bound hemicyanine without the chromatographic separation. The efficient, facile, and practical approaches appear to be robust and versatile strategies to deliver not only indocyanine dyes but also benzoindocyanine dyes. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2009.04.086