2-(tetrahydro-2H-2-pyranyloxy)ethyl 2-{3-oxo-6-[2-(tetrahydro-2H-2-pyranyloxy)ethoxy]-3H-9-xanthenyl}benzoate | 201813-15-2

• 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: 2-(tetrahydro-2H-2-pyranyloxy)ethyl 2-{3-oxo-6-[2-(tetrahydro-2H-2-pyranyloxy)ethoxy]-3H-9-xanthenyl}benzoate
• CAS: 201813-15-2
• 化学式: C₃₄H₃₆O₉
• 分子量: 588.654
• InChiKey: FTVGHGMWKPOIRT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.19
• 重原子数：
  43.0
• 可旋转键数：
  11.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  102.66
• 氢给体数：
  0.0
• 氢受体数：
  9.0

反应信息

• 作为反应物：
  描述：

  2-(tetrahydro-2H-2-pyranyloxy)ethyl 2-{3-oxo-6-[2-(tetrahydro-2H-2-pyranyloxy)ethoxy]-3H-9-xanthenyl}benzoate 在 4-二甲氨基吡啶 、 4-甲基苯磺酸吡啶 、 N,N'-二环己基碳二亚胺 作用下， 以 乙醇 、 氯仿 为溶剂， 反应 5.0h， 生成 2-{[4-(2-heptynoyl)benzoyl]oxy}ethyl 2-[6-(2-{[4-(2-heptynoyl)benzoyl]oxy}ethoxy)-3-oxo-3H-9-xanthenyl]benzoate
  参考文献：
  名称：

  Conjugate addition of amino acid side chains to dyes containing alkynone, alkynoic ester and alkynoic amide linker arms

  摘要：

  Derivatives of fluorescein, 7-hydroxycoumarin, Sudan 1 and dansyl chloride with linker arms containing a conjugated terminal alkyne have been prepared. The Michael addition of the sulfanyl group of protected cysteine, the hydroxyl group of protected serine and the E-amino group of protected lysine to the conjugated alkyne gave the expected heterosubstituted vinyl producs. (C) 1997 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(97)10324-6
• 作为产物：
  描述：

  2-(2-溴乙氧基)四氢吡喃 、 fluorescein free acid 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 12.0h， 以91%的产率得到2-(tetrahydro-2H-2-pyranyloxy)ethyl 2-{3-oxo-6-[2-(tetrahydro-2H-2-pyranyloxy)ethoxy]-3H-9-xanthenyl}benzoate
  参考文献：
  名称：

  Conjugate addition of amino acid side chains to dyes containing alkynone, alkynoic ester and alkynoic amide linker arms

  摘要：

  Derivatives of fluorescein, 7-hydroxycoumarin, Sudan 1 and dansyl chloride with linker arms containing a conjugated terminal alkyne have been prepared. The Michael addition of the sulfanyl group of protected cysteine, the hydroxyl group of protected serine and the E-amino group of protected lysine to the conjugated alkyne gave the expected heterosubstituted vinyl producs. (C) 1997 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(97)10324-6