4-(1-But-3-ynyl-2,5-dimethyl-cyclopenta-2,4-dienyl)-N-(2-iodo-phenyl)-N-methyl-butyramide | 135190-73-7

• 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: 4-(1-But-3-ynyl-2,5-dimethyl-cyclopenta-2,4-dienyl)-N-(2-iodo-phenyl)-N-methyl-butyramide
• 英文别名: 4-(1-but-3-ynyl-2,5-dimethylcyclopenta-2,4-dien-1-yl)-N-(2-iodophenyl)-N-methylbutanamide
• CAS: 135190-73-7
• 化学式: C₂₂H₂₆INO
• 分子量: 447.359
• InChiKey: VZEGHVOKGVMOIP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.2
• 重原子数：
  25
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  20.3
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  4-(1-But-3-ynyl-2,5-dimethyl-cyclopenta-2,4-dienyl)-N-(2-iodo-phenyl)-N-methyl-butyramide 在 偶氮二异丁腈 、 三正丁基氢锡 作用下， 以 苯 为溶剂， 以75%的产率得到(3aR,5aR)-3a,5a-Dimethyl-6-methylene-1,2,3,3a,5a,6,7,8-octahydro-cyclopenta[c]pentalene-3-carboxylic acid methyl-phenyl-amide
  参考文献：
  名称：

  Radical translocation reactions of o-iodoanilides: the use of carbon-hydrogen bonds as precursors of radicals adjacent to carbonyl groups

  摘要：

  The treatment of o-iodoanilides with tributyltin hydride results in radical generation followed by rapid translocation to produce radicals adjacent to carbonyls. These radicals participate in cyclization and asymmetric addition reactions.

  DOI：

  10.1021/jo00014a001
• 作为产物：
  描述：

  2-碘苯胺 、 4-(1-But-3-ynyl-2,5-dimethyl-cyclopenta-2,4-dienyl)-butyryl chloride 在 三苯基膦 作用下， 生成 4-(1-But-3-ynyl-2,5-dimethyl-cyclopenta-2,4-dienyl)-N-(2-iodo-phenyl)-N-methyl-butyramide
  参考文献：
  名称：

  Radical translocation reactions of o-iodoanilides: the use of carbon-hydrogen bonds as precursors of radicals adjacent to carbonyl groups

  摘要：

  The treatment of o-iodoanilides with tributyltin hydride results in radical generation followed by rapid translocation to produce radicals adjacent to carbonyls. These radicals participate in cyclization and asymmetric addition reactions.

  DOI：

  10.1021/jo00014a001