(E)-N-(1-phenylethylidene)benzenamine

• 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)-N-(1-phenylethylidene)benzenamine
• 化学式: C₁₄H₁₃N
• 分子量: 196.257
• InChiKey: CBXWICRJSHEQJT-QMYDBIGUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.83
• 重原子数：
  15.0
• 可旋转键数：
  2.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  12.36
• 氢给体数：
  0.0
• 氢受体数：
  1.0

反应信息

• 作为产物：
  描述：

  苯胺-15N 、 苯乙酮 反应 24.0h， 生成 (E)-N-(1-phenylethylidene)benzenamine
  参考文献：
  名称：

  Aromatic imine stereochemistry as studied by13C and1H NMR of15N-enriched materials

  摘要：

  AbstractA series of thirteen 15N‐enriched N‐aryl imines derived from benzaldehydes and acetophenones have been prepared and examined by 13C and 1H NMR. Preferred conformations of the C‐arvl and N‐aryl rings have been deduced from 13C chemical shifts and 13C‐15N couplings. Evidence for steric inhibition of resonance in O‐alkylated materials is presented. Relative signs of 1J(CN) and 2J(CCN) have been determined in some compounds. An E: Z interconversion barrier of 21.6 kcal mol−1 has been obtained from 1H NMR coalescence data.

  DOI：

  10.1002/mrc.1270130416

文献信息

• Aromatic imine stereochemistry as studied by13C and1H NMR of15N-enriched materials
  作者：Gerald W. Buchanan、Brian A. Dawson

  DOI：10.1002/mrc.1270130416

  日期：1980.4

  AbstractA series of thirteen 15N‐enriched N‐aryl imines derived from benzaldehydes and acetophenones have been prepared and examined by 13C and 1H NMR. Preferred conformations of the C‐arvl and N‐aryl rings have been deduced from 13C chemical shifts and 13C‐15N couplings. Evidence for steric inhibition of resonance in O‐alkylated materials is presented. Relative signs of 1J(CN) and 2J(CCN) have been determined in some compounds. An E: Z interconversion barrier of 21.6 kcal mol−1 has been obtained from 1H NMR coalescence data.