1-Pyren-1-yl-pent-4-yn-1-one | 796875-93-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 芘
• 英文名称: 1-Pyren-1-yl-pent-4-yn-1-one
• 英文别名: 1-Pyren-1-ylpent-4-yn-1-one；1-pyren-1-ylpent-4-yn-1-one
• CAS: 796875-93-9
• 化学式: C₂₁H₁₄O
• 分子量: 282.342
• InChiKey: KSUOBNHQXPKFQQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.2
• 重原子数：
  22
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  1-Pyren-1-yl-pent-4-yn-1-one 在 四(三苯基膦)钯 吡啶 、 copper(l) iodide 、 三乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 14.0h， 生成 1-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]-5-(5-oxo-5-pyren-1-ylpent-1-ynyl)pyrimidine-2,4-dione
  参考文献：
  名称：

  Synthesis and properties of novel base-discriminating fluorescent (BDF) nucleosides: a highly polarity-sensitive fluorophore for SNP typing

  摘要：

  We have developed novel alkanoylpyrene-labeled BDF nucleosides, U-AMPy and U-MPy. These nucleosides exhibit strong fluorescence emission at long wavelength that is highly sensitive to solvent polarity. BDF probes containing U-AMPy selectively emit fluorescence only when the base opposite BDF nucleoside is adenine and act as effective reporter probes for homogeneous SNP typing. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2004.09.003
• 作为产物：
  描述：

  炔丙基脲 在 三氯化铝 、 氯化亚砜 作用下， 以 二氯甲烷 为溶剂， 反应 2.0h， 生成 1-Pyren-1-yl-pent-4-yn-1-one
  参考文献：
  名称：

  Synthesis and properties of novel base-discriminating fluorescent (BDF) nucleosides: a highly polarity-sensitive fluorophore for SNP typing

  摘要：

  We have developed novel alkanoylpyrene-labeled BDF nucleosides, U-AMPy and U-MPy. These nucleosides exhibit strong fluorescence emission at long wavelength that is highly sensitive to solvent polarity. BDF probes containing U-AMPy selectively emit fluorescence only when the base opposite BDF nucleoside is adenine and act as effective reporter probes for homogeneous SNP typing. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2004.09.003