5-[2-(4-aminobut-1-ynyl)phenyl]pent-4-ynoic acid benzhydryl ester | 858940-82-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 5-[2-(4-aminobut-1-ynyl)phenyl]pent-4-ynoic acid benzhydryl ester
• CAS: 858940-82-6
• 化学式: C₂₈H₂₅NO₂
• 分子量: 407.512
• InChiKey: XOLAQNRXRKFPLL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.85
• 重原子数：
  31.0
• 可旋转键数：
  6.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  52.32
• 氢给体数：
  1.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  5-[2-(4-aminobut-1-ynyl)phenyl]pent-4-ynoic acid benzhydryl ester 在 1-羟基苯并三唑 、 苯甲醚 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 反应 12.0h， 生成 2-{1-[4-(2-(4-[1-(1-benzhydryloxycarbonyl-2-phenylethylcarbamoyl)ethylcarbamoyl]but-1-ynyl)phenyl)but-3-ynylcarbamoyl]ethylcarbamoyl}pyrrolidine-1-carboxylic acid 2H-fluoren-9-ylmethyl ester
  参考文献：
  名称：

  Design and synthesis of a novel enediynyl pentapeptide with predominantly β-turn structural motif and its potential as a fluorescence-based chemosensor

  摘要：

  A novel enediynyl pentapeptide in the protected form 1 was synthesized and characterized. It exists predominantly in beta-turn structural motif as revealed by variable temperature NMR and CD spectroscopy. In the presence of transition metal ions and gold nanoparticles, the fluorescence intensity of the peptide got enhanced with remarkable quantum yield with the Z-enediynyl omega-amino acid acting as a fluorophoric reporter. The interesting photophysical behaviors with alkali and alkaline earth metal ions are also reported. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2005.03.038
• 作为产物：
  描述：

  5-[2-(4-(methanesulfonyloxy)but-1-ynyl)phenyl]pent-4-ynoic acid benzhydryl ester 在 sodium azide 、 三苯基膦 作用下， 以 四氢呋喃 、 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 42.0h， 生成 5-[2-(4-aminobut-1-ynyl)phenyl]pent-4-ynoic acid benzhydryl ester
  参考文献：
  名称：

  Design and synthesis of a novel enediynyl pentapeptide with predominantly β-turn structural motif and its potential as a fluorescence-based chemosensor

  摘要：

  A novel enediynyl pentapeptide in the protected form 1 was synthesized and characterized. It exists predominantly in beta-turn structural motif as revealed by variable temperature NMR and CD spectroscopy. In the presence of transition metal ions and gold nanoparticles, the fluorescence intensity of the peptide got enhanced with remarkable quantum yield with the Z-enediynyl omega-amino acid acting as a fluorophoric reporter. The interesting photophysical behaviors with alkali and alkaline earth metal ions are also reported. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2005.03.038