methyl N-(2-amino-1,2-dicyanoethenyl)methanimidate | 123060-28-6

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 甲亚胺酸及其衍生物
• 英文名称: methyl N-(2-amino-1,2-dicyanoethenyl)methanimidate
• CAS: 123060-28-6
• 化学式: C₆H₆N₄O
• 分子量: 150.14
• InChiKey: ZLOFYQKDSXQUCR-UHFFFAOYSA-N

物化性质

• 沸点：
  308.8±42.0 °C(Predicted)
• 密度：
  1.15±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.3
• 重原子数：
  11
• 可旋转键数：
  2
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  95.2
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  methyl N-(2-amino-1,2-dicyanoethenyl)methanimidate 在 2,3-二氯-5,6-二氰基-1,4-苯醌 作用下， 以 乙腈 为溶剂， 反应 72.0h， 生成 4,5-dicyano-2-methoxyimidazole
  参考文献：
  名称：

  Push-pull molecules with a systematically extended π-conjugated system featuring 4,5-dicyanoimidazole

  摘要：

  Eighteen chromophores featuring 4,5-dicyanoimidazole as an acceptor moiety, a systematically enlarged pi-conjugated spacer and methoxy and N,N-dimethylamino groups as donors were synthesised and characterised by X-ray analysis, electrochemistry, UV-Vis and fluorescence spectroscopy whilst NLO properties were calculated Quantitative relationships between measured properties and structural features of the chromophores were also evaluated (C) 2009 Elsevier Ltd. All rights reserved

  DOI：

  10.1016/j.dyepig.2009.10.004
• 作为产物：
  描述：

  2,3-diaminomaleonitrile 、 原甲酸三甲酯 以 1,4-二氧六环 为溶剂， 生成 methyl N-(2-amino-1,2-dicyanoethenyl)methanimidate
  参考文献：
  名称：

  Push-pull molecules with a systematically extended π-conjugated system featuring 4,5-dicyanoimidazole

  摘要：

  Eighteen chromophores featuring 4,5-dicyanoimidazole as an acceptor moiety, a systematically enlarged pi-conjugated spacer and methoxy and N,N-dimethylamino groups as donors were synthesised and characterised by X-ray analysis, electrochemistry, UV-Vis and fluorescence spectroscopy whilst NLO properties were calculated Quantitative relationships between measured properties and structural features of the chromophores were also evaluated (C) 2009 Elsevier Ltd. All rights reserved

  DOI：

  10.1016/j.dyepig.2009.10.004

文献信息

• Push-pull molecules with a systematically extended π-conjugated system featuring 4,5-dicyanoimidazole
  作者：Jiří Kulhánek、Filip Bureš、Oldřich Pytela、Tomáš Mikysek、Jiří Ludvík、Aleš Růžička

  DOI：10.1016/j.dyepig.2009.10.004

  日期：2010.4

  Eighteen chromophores featuring 4,5-dicyanoimidazole as an acceptor moiety, a systematically enlarged pi-conjugated spacer and methoxy and N,N-dimethylamino groups as donors were synthesised and characterised by X-ray analysis, electrochemistry, UV-Vis and fluorescence spectroscopy whilst NLO properties were calculated Quantitative relationships between measured properties and structural features of the chromophores were also evaluated (C) 2009 Elsevier Ltd. All rights reserved