N-(4-methoxyphenyl)-5-(3-methylphenyl)-pent-4-ynamide | 862167-26-8

• 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: N-(4-methoxyphenyl)-5-(3-methylphenyl)-pent-4-ynamide
• 英文别名: N-(4-methoxyphenyl)-5-(3-methylphenyl)pent-4-ynamide
• CAS: 862167-26-8
• 化学式: C₁₉H₁₉NO₂
• 分子量: 293.365
• InChiKey: XZIGIGCANRKEDM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  22
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  38.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  N-(4-methoxyphenyl)-5-(3-methylphenyl)-pent-4-ynamide 在 2,2,2-三氟乙醇 、 [双(三氟乙酰氧基)碘]苯 作用下， 以70%的产率得到N-(4-methoxyphenyl)-5-(3-methylbenzoyl)pyrrolidin-2-one
  参考文献：
  名称：

  Expeditious Approach to 5-Aroyl-pyrrolidinones by a Novel PIFA-Mediated Alkyne Amidation Reaction

  摘要：

  A novel metal-free approach to the alkyne amidation reaction is presented. The oxidation of properly substituted amides by the hypervalent iodine reagent PIFA provides the generation of a nitreniurn ion that can react intramolecularly with a triple bond, leading to the construction of the title compounds.

  DOI：

  10.1021/ol0510623
• 作为产物：
  描述：

  炔丙基脲 在 四(三苯基膦)钯 copper(l) iodide 、 1-羟基苯并三唑 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 二乙胺 、 三乙胺 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 生成 N-(4-methoxyphenyl)-5-(3-methylphenyl)-pent-4-ynamide
  参考文献：
  名称：

  Expeditious Approach to 5-Aroyl-pyrrolidinones by a Novel PIFA-Mediated Alkyne Amidation Reaction

  摘要：

  A novel metal-free approach to the alkyne amidation reaction is presented. The oxidation of properly substituted amides by the hypervalent iodine reagent PIFA provides the generation of a nitreniurn ion that can react intramolecularly with a triple bond, leading to the construction of the title compounds.

  DOI：

  10.1021/ol0510623

文献信息

• Expeditious Approach to 5-Aroyl-pyrrolidinones by a Novel PIFA-Mediated Alkyne Amidation Reaction
  作者：Sonia Serna、Imanol Tellitu、Esther Domínguez、Isabel Moreno、Raul SanMartín

  DOI：10.1021/ol0510623

  日期：2005.7.1

  A novel metal-free approach to the alkyne amidation reaction is presented. The oxidation of properly substituted amides by the hypervalent iodine reagent PIFA provides the generation of a nitreniurn ion that can react intramolecularly with a triple bond, leading to the construction of the title compounds.