(E)-4-phenyl-4-hexen-2-one | 330686-88-9

• 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: (E)-4-phenyl-4-hexen-2-one
• 英文别名: (e)-4-Phenyl-4-hexen-2-one；(E)-4-phenylhex-4-en-2-one
• CAS: 330686-88-9
• 化学式: C₁₂H₁₄O
• 分子量: 174.243
• InChiKey: MRQOHFRRCUVDJD-QDEBKDIKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  苯丙酮 、 丙酮 在 sodium hydroxide 作用下， 反应 2.0h， 生成 2,3-dimethyl-1-phenyl-2-butene-1-one 、 (E)-4-phenyl-4-hexen-2-one 、 3-Phenylhexen-(3)-on-(5) 、 (Z)-4-phenyl-4-hexen-2-one
  参考文献：
  名称：

  Features of the chromatography-mass spectrometric identification of condensation products of the carbonyl compounds

  摘要：

  By the example of the condensation products of acetone with the simplest aromatic carbonyl compounds it was shown that the joint interpretation of mass spectrometric and chromatographic data in conjunction with a priori assumptions about the nature of the chemical structure allows the detection of the components of reaction mixtures that were not previously characterized by standard mass spectra or by retention indices on standard stationary phases. A necessary condition for solving such problems is creating a hypothesis about the sample composition that is possible for the expected products of the known organic reactions.

  DOI：

  10.1134/s1070363211090143

文献信息

• Features of the chromatography-mass spectrometric identification of condensation products of the carbonyl compounds
  作者：I. G. Zenkevich、A. I. Ukolov

  DOI：10.1134/s1070363211090143

  日期：2011.9

  By the example of the condensation products of acetone with the simplest aromatic carbonyl compounds it was shown that the joint interpretation of mass spectrometric and chromatographic data in conjunction with a priori assumptions about the nature of the chemical structure allows the detection of the components of reaction mixtures that were not previously characterized by standard mass spectra or by retention indices on standard stationary phases. A necessary condition for solving such problems is creating a hypothesis about the sample composition that is possible for the expected products of the known organic reactions.