1-((3-methoxyphenyl)ethynyl)pyrrolidin-2-one | 1629768-47-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 1-((3-methoxyphenyl)ethynyl)pyrrolidin-2-one
• 英文别名: 1-(3-methoxyphenylethynyl)pyrrolidin-2-one；1-[2-(3-Methoxyphenyl)ethynyl]pyrrolidin-2-one
• CAS: 1629768-47-3
• 化学式: C₁₃H₁₃NO₂
• 分子量: 215.252
• InChiKey: MTKYGDLFOXUUMT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  29.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-((3-methoxyphenyl)ethynyl)pyrrolidin-2-one 以 氯仿 为溶剂， 反应 20.0h， 以77%的产率得到dibromo(2-(3-methoxyphenyl)-6,7-dihydro-5H-pyrrolo[2,1-b]oxazol-4-ium-3-yl)selenate(II)
  参考文献：
  名称：

  Addition of selenium(II) bromide to arylalkynylamides—a route to hypervalent T-shaped 10-Se-3 systems

  摘要：

  A route for the generation of hypervalent T-shaped 10-Se-3 systems is described involving an interaction between in situ prepared selenium(II) bromide and an aryl alkynyl amide derivative. The existence of hypervalent selenium in both the solid and solution states has been supported by X-ray analysis and Se-77 NMR data. (C) 2015 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2015.06.026
• 作为产物：
  描述：

  3-乙炔基苯甲醚 在 ammonium hydroxide 、 四甲基乙二胺 、 氧气 作用下， 以 乙醇 、 乙腈 为溶剂， 生成 1-((3-methoxyphenyl)ethynyl)pyrrolidin-2-one
  参考文献：
  名称：

  Convenient and Practical Alkynylation of Heteronucleophiles with Copper Acetylides

  摘要：

  Copper acetylides, readily available reagents which are characterized by their lack of reactivity, can be simply activated by oxidation with oxygen in the presence of simple nitrogen ligands such as TMEDA or imidazole derivatives. Upon activation, these nucleophilic species undergo a formal umpolung and can transfer their alkyne subunit to a wide range of heteronucleophiles, including amides, oxazolidinones, imines, and dialkyl phosphites. This alkynylation, which provides one of the most practical entry to useful building blocks such as ynamides, ynimines, and alkynylphosphonates, proceeds under especially mild conditions and can be easily performed on a multigram scale.

  DOI：

  10.1055/s-0033-1341025