1-phenyl-3-N-(o-chlorophenylimino)-1-butanone | 795277-16-6

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-phenyl-3-N-(o-chlorophenylimino)-1-butanone
• 英文别名: 3-(2-Chlorophenyl)imino-1-phenylbutan-1-one；3-(2-chlorophenyl)imino-1-phenylbutan-1-one
• CAS: 795277-16-6
• 化学式: C₁₆H₁₄ClNO
• 分子量: 271.746
• InChiKey: CQGBSFPAGDRRET-UHFFFAOYSA-N

物化性质

• 沸点：
  405.6±45.0 °C(Predicted)
• 密度：
  1.11±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  19
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  29.4
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-phenyl-3-N-(o-chlorophenylimino)-1-butanone 、 三甲基镓 以 环己烷 、 苯 为溶剂， 以83.1%的产率得到dimethyl[1-phenyl-3-N-(o-chlorophenylimino)-1-butanonato]gallium
  参考文献：
  名称：

  Synthesis, characterization and luminescence study of dimethyl(β-ketoiminato)gallium (-indium) complexes: crystal structure of dimethyl[1-phenyl-3-N-(4-methoxyphenylimino)-1-butanonato]gallium

  摘要：

  Six dimethylgallium (indium) complexes of type Me2ML [M = Ga, L = 1-phenyl-3-N-(phenylimino)-1-butanonato (1), 1-phenyl-3-N-(p-methoxyphenylimino)-1-butanonato (2), 1-phenyl-3-N-(o-chloro phenylimino)-1-butanonato (3); M = In, L = 1-phenyl-3-N-(phenyl imino)-1-butanonato (4), 1-phenyl-3-N-(p-methoxyphenylimino)-1-butanonato (5), 1-phenyl-3-N-(o-chloro-phenylimino)-1-butanonato (6)] have been synthesized by reaction of trimethylgallium (indium) with appropriate 1-phenyl-3-N-(arylimino)-1-butanones. The complexes obtained have been characterized by elemental analysis, H-1 NMR, IR and mass spectroscopy. Structure of 2 has been determined by X-ray single-crystal analysis, in which Ga atom is four coordinated. Complexes 1-6 emit colors from blue to green (463-491 nm) when irradiated by UV light. The electroluminescent (EL) properties of 1-6 were examined by fabricating EL devices using 1-6 as emitter, respectively. The EL bands are located in the green region (509-522 nm). (C) 2004 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2004.07.058