N-{4-[2-(2-bromoprop-2-en-1-yl)phenyl]-4-oxobut-2-yn-1-yl}-N-methyl-3-(trimethylsilyl)prop-2-ynamide | 1245538-39-9

• 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-[2-(2-bromoprop-2-en-1-yl)phenyl]-4-oxobut-2-yn-1-yl}-N-methyl-3-(trimethylsilyl)prop-2-ynamide
• 英文别名: N-[4-[2-(2-bromoprop-2-enyl)phenyl]-4-oxobut-2-ynyl]-N-methyl-3-trimethylsilylprop-2-ynamide
• CAS: 1245538-39-9
• 化学式: C₂₀H₂₂BrNO₂Si
• 分子量: 416.39
• InChiKey: UHPNZOUEDSCGAB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.66
• 重原子数：
  25
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  37.4
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  N-{4-[2-(2-bromoprop-2-en-1-yl)phenyl]-4-oxobut-2-yn-1-yl}-N-methyl-3-(trimethylsilyl)prop-2-ynamide 在 丁基环氧乙烷 作用下， 以 甲苯 为溶剂， 反应 6.0h， 以30%的产率得到4-{[2-(2-bromoprop-2-en-1-yl)phenyl]ethynyl}-1-methyl-1,5-dihydro-2H-pyrrol-2-one
  参考文献：
  名称：

  Model studies for the synthesis of the antibiotic lactonamycin and the discovery of new reactions and mechanisms for the construction of substituted heterocycles

  摘要：

  A new and highly efficient route for the construction of a model for the synthesis of lactonamycin 1 is reported. The chemistry has been utilised for the synthesis of heterocyclic rings, and new reactions for the synthesis of dienes and alkynes are reported. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2010.05.051
• 作为产物：
  描述：

  N-{4-[2-(2-bromoprop-2-en-1-yl)phenyl]-4-hydroxybut-2-yn-1-yl}-N-methyl-3-(trimethylsilyl)prop-2-ynamide 在 manganese(IV) oxide 作用下， 以 二氯甲烷 为溶剂， 反应 48.0h， 以97%的产率得到N-{4-[2-(2-bromoprop-2-en-1-yl)phenyl]-4-oxobut-2-yn-1-yl}-N-methyl-3-(trimethylsilyl)prop-2-ynamide
  参考文献：
  名称：

  Model studies for the synthesis of the antibiotic lactonamycin and the discovery of new reactions and mechanisms for the construction of substituted heterocycles

  摘要：

  A new and highly efficient route for the construction of a model for the synthesis of lactonamycin 1 is reported. The chemistry has been utilised for the synthesis of heterocyclic rings, and new reactions for the synthesis of dienes and alkynes are reported. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2010.05.051

文献信息

• Model studies for the synthesis of the antibiotic lactonamycin and the discovery of new reactions and mechanisms for the construction of substituted heterocycles
  作者：Philip J. Parsons、Jonathan Board、Davide Faggiani、Peter B. Hitchcock、Lewis Preece、Alexander J. Waters

  DOI：10.1016/j.tet.2010.05.051

  日期：2010.8

  A new and highly efficient route for the construction of a model for the synthesis of lactonamycin 1 is reported. The chemistry has been utilised for the synthesis of heterocyclic rings, and new reactions for the synthesis of dienes and alkynes are reported. (C) 2010 Elsevier Ltd. All rights reserved.