3-(Dimethylamino)-1-(4-ethoxyphenyl)propan-1-one | 143337-77-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 3-(Dimethylamino)-1-(4-ethoxyphenyl)propan-1-one
• CAS: 143337-77-3
• 化学式: C₁₃H₁₉NO₂
• 分子量: 221.299
• InChiKey: PXJIWJBRMWGNFM-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：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  29.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-(Dimethylamino)-1-(4-ethoxyphenyl)propan-1-one 、 碘甲烷 以 乙醚 为溶剂， 反应 48.0h， 生成 N-(4'-Ethoxy-2-benzoylethyl)-N,N,N-trimethylammonium iodide
  参考文献：
  名称：

  A New Microwave Reactor for Batchwise Organic Synthesis

  摘要：

  A laboratory-scale microwave batch reactor (MBR) has been developed for organic synthesis or kinetic studies on the 20-100 mt scale, with upper operating limits of 260 degrees C and 10 MPa (100 atm). The MBR complements a continuous microwave reactor which was the subject of a previous report from the authors' laboratory. Microwave-assisted organic reactions were conducted safely and conveniently in the MBR, for lengthy periods when required, and in volatile organic solvents. The use of water as a solvent for organic reactions was also explored. Examples include oxidation, elimination, esterifications, hydrolysis of a tertiary amide, etherification, isomerization, Hofmann elimination, alpha-iodination of a carboxylic acid, Claisen rearrangement, aminoreductone formation, and Wilgerodt reactions. Advantages of the new MBR include; the capability for rapid heating and quenching of reaction mixtures, minimal temperature gradients within the sample, and elimination of wall effects. Safety aspects have been discussed.

  DOI：

  10.1021/jo00113a028
• 作为产物：
  描述：

  聚合甲醛 、 盐酸二甲胺 、 4-乙氧基苯乙酮 在 盐酸 作用下， 以 乙醇 为溶剂， 反应 4.0h， 生成 3-(Dimethylamino)-1-(4-ethoxyphenyl)propan-1-one
  参考文献：
  名称：

  A New Microwave Reactor for Batchwise Organic Synthesis

  摘要：

  A laboratory-scale microwave batch reactor (MBR) has been developed for organic synthesis or kinetic studies on the 20-100 mt scale, with upper operating limits of 260 degrees C and 10 MPa (100 atm). The MBR complements a continuous microwave reactor which was the subject of a previous report from the authors' laboratory. Microwave-assisted organic reactions were conducted safely and conveniently in the MBR, for lengthy periods when required, and in volatile organic solvents. The use of water as a solvent for organic reactions was also explored. Examples include oxidation, elimination, esterifications, hydrolysis of a tertiary amide, etherification, isomerization, Hofmann elimination, alpha-iodination of a carboxylic acid, Claisen rearrangement, aminoreductone formation, and Wilgerodt reactions. Advantages of the new MBR include; the capability for rapid heating and quenching of reaction mixtures, minimal temperature gradients within the sample, and elimination of wall effects. Safety aspects have been discussed.

  DOI：

  10.1021/jo00113a028

文献信息

• A New Microwave Reactor for Batchwise Organic Synthesis
  作者：Kevin D. Raner、Christopher R. Strauss、Robert W. Trainor、John S. Thorn

  DOI：10.1021/jo00113a028

  日期：1995.4

  A laboratory-scale microwave batch reactor (MBR) has been developed for organic synthesis or kinetic studies on the 20-100 mt scale, with upper operating limits of 260 degrees C and 10 MPa (100 atm). The MBR complements a continuous microwave reactor which was the subject of a previous report from the authors' laboratory. Microwave-assisted organic reactions were conducted safely and conveniently in the MBR, for lengthy periods when required, and in volatile organic solvents. The use of water as a solvent for organic reactions was also explored. Examples include oxidation, elimination, esterifications, hydrolysis of a tertiary amide, etherification, isomerization, Hofmann elimination, alpha-iodination of a carboxylic acid, Claisen rearrangement, aminoreductone formation, and Wilgerodt reactions. Advantages of the new MBR include; the capability for rapid heating and quenching of reaction mixtures, minimal temperature gradients within the sample, and elimination of wall effects. Safety aspects have been discussed.