2-{[4-(2-heptynoyl)benzoyl]oxy}ethyl 2-[6-(2-{[4-(2-heptynoyl)benzoyl]oxy}ethoxy)-3-oxo-3H-9-xanthenyl]benzoate | 201813-26-5

• 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-{[4-(2-heptynoyl)benzoyl]oxy}ethyl 2-[6-(2-{[4-(2-heptynoyl)benzoyl]oxy}ethoxy)-3-oxo-3H-9-xanthenyl]benzoate
• 英文别名: 2-(4-Hept-2-ynoylbenzoyl)oxyethyl 2-[3-[2-(4-hept-2-ynoylbenzoyl)oxyethoxy]-6-oxoxanthen-9-yl]benzoate；2-(4-hept-2-ynoylbenzoyl)oxyethyl 2-[3-[2-(4-hept-2-ynoylbenzoyl)oxyethoxy]-6-oxoxanthen-9-yl]benzoate
• CAS: 201813-26-5
• 化学式: C₅₂H₄₄O₁₁
• 分子量: 844.915
• InChiKey: MTAXZSLTHHNJEL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.6
• 重原子数：
  63
• 可旋转键数：
  20
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  149
• 氢给体数：
  0
• 氢受体数：
  11

反应信息

• 作为反应物：
  描述：

  N-苄氧羰酰基-L-丝氨酸甲酯 、 2-{[4-(2-heptynoyl)benzoyl]oxy}ethyl 2-[6-(2-{[4-(2-heptynoyl)benzoyl]oxy}ethoxy)-3-oxo-3H-9-xanthenyl]benzoate 在 三丁基膦 作用下， 以 氯仿 为溶剂， 以12%的产率得到2-({4-[(E)-3-(2-{[(benzyloxy)carbonyl]amino}-3-methoxy-3-oxopropoxy)-2-heptenoyl]benzoyl}oxy)ethyl 2-{6-[2-({4-[(E)-3-(2-{[(benzyloxy)carbonyl]amino}-3-methoxy-3-oxopropoxy)-2-heptenoyl]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：

  fluorescein free acid 在 4-二甲氨基吡啶 、 potassium carbonate 、 N,N'-二环己基碳二亚胺 作用下， 以 氯仿 、 N,N-二甲基甲酰胺 为溶剂， 反应 2.0h， 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

文献信息

• Conjugate addition of amino acid side chains to dyes containing alkynone, alkynoic ester and alkynoic amide linker arms
  作者：Geoffrey T. Crisp、Michael J. Millan

  DOI：10.1016/s0040-4020(97)10324-6

  日期：1998.1

  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.