(13)C-(E)-3-(4'-methoxyphenyl)-1-(3",4",5"-trimethoxyphenyl)prop-2-en-1-one | 1287761-34-5

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 直链 1,3-二芳基丙烷
• 英文名称: (13)C-(E)-3-(4'-methoxyphenyl)-1-(3",4",5"-trimethoxyphenyl)prop-2-en-1-one
• 英文别名: (E)-3-(4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)(113C)prop-2-en-1-one
• CAS: 1287761-34-5
• 化学式: C₁₉H₂₀O₅
• 分子量: 329.354
• InChiKey: IHAWCLXPXUOJEO-KLDNAQMPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  24
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  54
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  (13)C-(E)-3-(4'-methoxyphenyl)-1-(3",4",5"-trimethoxyphenyl)prop-2-en-1-one 在 三氟乙酸 作用下， 反应 4.0h， 以74%的产率得到(13)C-4,5,6-trimethoxy-3-(4'-methoxyphenyl)indanone
  参考文献：
  名称：

  Carbonylative Heck Reactions Using CO Generated ex Situ in a Two-Chamber System

  摘要：

  A carbonylative Heck reaction of aryl iodides and styrene derivatives employing a two-chamber system using a stable, crystalline, and nontransition metal based carbon monoxide source is reported. By applying near-stoichiometric amounts of the carbon monoxide precursor, an effective exploitation of the hazardous CO gas is obtained affording chalcone derivatives in good yields. Application to isotope labeling, incorporating (13)CO, was further established.

  DOI：

  10.1021/ol200686h
• 作为产物：
  描述：

  4-甲氧基苯乙烯 、 5-碘-1,2,3-三甲氧基苯 、 9-甲基-9H-芴-9-羰基-13C氯化物 在 三叔丁基膦 、 N,N-二异丙基乙胺 、 bis(dibenzylideneacetone)-palladium⁽⁰⁾ 、 N-甲基二环己基胺 、 正丁基二(1-金刚烷基)膦 作用下， 以 1,4-二氧六环 为溶剂， 反应 40.0h， 以58%的产率得到(13)C-(E)-3-(4'-methoxyphenyl)-1-(3",4",5"-trimethoxyphenyl)prop-2-en-1-one
  参考文献：
  名称：

  Carbonylative Heck Reactions Using CO Generated ex Situ in a Two-Chamber System

  摘要：

  A carbonylative Heck reaction of aryl iodides and styrene derivatives employing a two-chamber system using a stable, crystalline, and nontransition metal based carbon monoxide source is reported. By applying near-stoichiometric amounts of the carbon monoxide precursor, an effective exploitation of the hazardous CO gas is obtained affording chalcone derivatives in good yields. Application to isotope labeling, incorporating (13)CO, was further established.

  DOI：

  10.1021/ol200686h

文献信息

• Carbonylative Heck Reactions Using CO Generated <i>ex Situ</i> in a Two-Chamber System
  作者：Philippe Hermange、Thomas M. Gøgsig、Anders T. Lindhardt、Rolf H. Taaning、Troels Skrydstrup

  DOI：10.1021/ol200686h

  日期：2011.5.6

  A carbonylative Heck reaction of aryl iodides and styrene derivatives employing a two-chamber system using a stable, crystalline, and nontransition metal based carbon monoxide source is reported. By applying near-stoichiometric amounts of the carbon monoxide precursor, an effective exploitation of the hazardous CO gas is obtained affording chalcone derivatives in good yields. Application to isotope labeling, incorporating (13)CO, was further established.