2-(3-butynyl)-3-ethoxy-2,3-dihydro-1H-isoindol-1-one | 144252-24-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异吲哚及其衍生物
• 英文名称: 2-(3-butynyl)-3-ethoxy-2,3-dihydro-1H-isoindol-1-one
• 英文别名: 2-but-3-ynyl-3-ethoxy-3H-isoindol-1-one
• CAS: 144252-24-4
• 化学式: C₁₄H₁₅NO₂
• 分子量: 229.279
• InChiKey: FGPIQXIHTUMAAX-UHFFFAOYSA-N

物化性质

• 沸点：
  362.9±42.0 °C(Predicted)
• 密度：
  1.16±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  17.0
• 可旋转键数：
  4.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  29.54
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  2-(3-butynyl)-3-ethoxy-2,3-dihydro-1H-isoindol-1-one 、 二苯二硫醚 以 苯 为溶剂， 反应 0.5h， 以1.2%的产率得到3-ethoxy-3-phenylthio-2-(4-phenylthio-but-3-enyl)-2,3-dihydro-1H-isoindol-1-one
  参考文献：
  名称：

  Model Studies for Damage to Nucleic Acids Mediated by Thiyl Radicals

  摘要：

  The ability of phenylthiovinyl radicals to abstract hydrogen from appropriately substituted carbon atoms has been studied as a model for the reactions of the deoxyribose units of DNA with similar radicals in vivo.

  DOI：

  10.1016/s0040-4020(01)88306-x
• 作为产物：
  描述：

  N-(3-丁炔)邻苯二甲酰亚胺 、 乙醇 在 sodium tetrahydroborate 作用下， 以95.8%的产率得到2-(3-butynyl)-3-ethoxy-2,3-dihydro-1H-isoindol-1-one
  参考文献：
  名称：

  Model Studies for Damage to Nucleic Acids Mediated by Thiyl Radicals

  摘要：

  The ability of phenylthiovinyl radicals to abstract hydrogen from appropriately substituted carbon atoms has been studied as a model for the reactions of the deoxyribose units of DNA with similar radicals in vivo.

  DOI：

  10.1016/s0040-4020(01)88306-x

文献信息

• Model Studies for Damage to Nucleic Acids Mediated by Thiyl Radicals
  作者：Jonathan Griffiths、John A. Murphy

  DOI：10.1016/s0040-4020(01)88306-x

  日期：1992.1

  The ability of phenylthiovinyl radicals to abstract hydrogen from appropriately substituted carbon atoms has been studied as a model for the reactions of the deoxyribose units of DNA with similar radicals in vivo.