1-acetyl-1-nitro-2-(2-furyl)ethene

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-acetyl-1-nitro-2-(2-furyl)ethene
• 英文别名: (Z)-4-(furan-2-yl)-3-nitrobut-3-en-2-one
• 化学式: C₈H₇NO₄
• 分子量: 181.148
• InChiKey: JSOXJCFMPUUCLW-YVMONPNESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  76
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1-acetyl-1-nitro-2-(2-furyl)ethene 以 氘代二甲亚砜 为溶剂， 以100%的产率得到1-acetyl-1-nitro-2-(2-furyl)ethene
  参考文献：
  名称：

  摘要：

  A one-stage synthesis of 1-acyl-l-nitro-2-furyl(thienyl)ethenes was developed and structural assessment of the products was performed by means of H-1, IR, and UV spectroscopy and dipole moment measurements. The acetyl derivatives have Z configuration, and the benzoyl derivatives, E configuration. The UV and IR spectra, as well as the rather high dipole moments (musimilar to5similar to6 D) point to an essential contribution in the structures of dipolar forms.

  DOI：

  10.1023/a:1014200612456
• 作为产物：
  描述：

  糠醛 、 1-硝基乙酮 在 氯化亚砜 作用下， 以 乙醇 为溶剂， 生成 1-acetyl-1-nitro-2-(2-furyl)ethene 、 1-acetyl-1-nitro-2-(2-furyl)ethene
  参考文献：
  名称：

  摘要：

  A one-stage synthesis of 1-acyl-l-nitro-2-furyl(thienyl)ethenes was developed and structural assessment of the products was performed by means of H-1, IR, and UV spectroscopy and dipole moment measurements. The acetyl derivatives have Z configuration, and the benzoyl derivatives, E configuration. The UV and IR spectra, as well as the rather high dipole moments (musimilar to5similar to6 D) point to an essential contribution in the structures of dipolar forms.

  DOI：

  10.1023/a:1014200612456

文献信息

• US4248873A
  申请人：——

  公开号：US4248873A

  公开（公告）日：1981-02-03
• ——
  作者：V. M. Berestovitskaya、N. I. Aboskalova、E. A. Ishmaeva、S. V. Bakhareva、G. A. Berkova、Ya. A. Vereshchagina、A. V. Fel'gendler、G. R. Fattakhova

  DOI：10.1023/a:1014200612456

  日期：——

  A one-stage synthesis of 1-acyl-l-nitro-2-furyl(thienyl)ethenes was developed and structural assessment of the products was performed by means of H-1, IR, and UV spectroscopy and dipole moment measurements. The acetyl derivatives have Z configuration, and the benzoyl derivatives, E configuration. The UV and IR spectra, as well as the rather high dipole moments (musimilar to5similar to6 D) point to an essential contribution in the structures of dipolar forms.