Bicyclo[2.2.1]hepta-1,3,5-trien-7-one;1-phenylethanone

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: Bicyclo[2.2.1]hepta-1,3,5-trien-7-one;1-phenylethanone
• 英文别名: bicyclo[2.2.1]hepta-1,3,5-trien-7-one;1-phenylethanone
• 化学式: C15H12O2
• 分子量: 224.25
• InChiKey: SEUILOWFQMNLFB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.88
• 重原子数：
  17
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  34.1
• 氢给体数：
  0
• 氢受体数：
  2

文献信息

• METHOD FOR SYNTHESIZING BETA-DICARBONYL COMPOUNDS
  申请人：Honnart Stephane

  公开号：US20140088325A1

  公开（公告）日：2014-03-27

  A method for synthesizing beta-dicarbonyl compounds, particularly beta-diketones, from at least two carbonyl compounds, such as esters and ketones, in the presence of a strong base or a mixture of strong bases by Claisen condensation with a titer of greater than 95%. The method includes providing a synthesis reactor on which a separation column, provided with a condenser and with at least one microwave generator, is mounted; feeding a first carbonyl compound and the strong base into the synthesis reactor; heating the reactor and starting up the condenser; starting up the microwave generator(s); when the mixture is brought to a boil at total flux, feeding the second carbonyl compound into the reactor; and after a waiting time, stopping the reactor and acidifying and washing the reaction mixture.)

  一种从至少两种羰基化合物（如酯和酮）在强碱或强碱混合物存在下通过克莱森缩合合成β-二羰基化合物，特别是β-二酮的方法，其滴定度大于95%。该方法包括提供一个合成反应器，在该反应器上安装有一个带有冷凝器和至少一个微波发生器的分离柱；将第一羰基化合物和强碱注入合成反应器；加热反应器并启动冷凝器；启动微波发生器；当混合物在总通量下沸腾时，将第二羰基化合物注入反应器；等待一段时间后停止反应器，使反应混合物酸化和洗涤。