4-(异喹啉-4-基)苯甲醛 | 1023554-08-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 中文名称: 4-(异喹啉-4-基)苯甲醛
• 英文名称: 4-(isoquinolin-4-yl)benzaldehyde
• 英文别名: 4-Isoquinolin-4-ylbenzaldehyde
• CAS: 1023554-08-6
• 化学式: C₁₆H₁₁NO
• mdl: MFCD14584527
• 分子量: 233.269
• InChiKey: LVZXTSCKFQWQSI-UHFFFAOYSA-N

物化性质

• 沸点：
  418.0±33.0 °C(Predicted)
• 密度：
  1.204±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  30
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4-(异喹啉-4-基)苯甲醛 、 菲醌 在 ammonium acetate 、 溶剂黄146 作用下， 反应 4.0h， 生成 2-(4-(isoquinolin-4-yl)phenyl)-1H-phenanthro[9,10-d]imidazole
  参考文献：
  名称：

  Synthesis, characterisation and electroluminescence behaviour of π-conjugated imidazole–isoquinoline derivatives

  摘要：

  A series of highly fluorescent, isoquinoline it-conjugated imidazole derivatives have been synthesized and fully characterized. Their photophysical, electrochemical and thermal properties have also been discussed. The interplay of amorphous and crystalline nature of the compounds in thin film and fine powder have been analysed by using X-ray diffraction and atomic force microscopic (AFM) techniques. An organic light emitting diode consisting of 4-(4-(1-(4-methoxyphenyl)-4,5-diphenyl-1H-imidazol-2yl)phenyl)isoquinoline as the emitting layer doped with 4,4'-Bis(N-carbazolyl)-1,1'-biphenyl (CPB) showed ideal blue emission (CIE: 0.16, 0.08). "Pure" white light (CIE: 0.34, 0.32) comprising of a blue light from excimers and an orange light from electromers at a high voltage has been achieved by using the compounds 2-(4-(isoquinolin-4-yl)phenyl)-1H-phenanthro[9,10-d]imidazole & 2-(4-(isoquinolin-4-yl) phenyl)-1-(4-methoxyphenyl)-1H-phenanthro[9,10-d]imidazole as single-emitting components. To elucidate the structural and optical properties, computational calculations have been performed. Computed results reveal all the electronic transitions are of pi -> pi* type and energy of the S-0 -> S-1 follows same variation trend with the band gap. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.dyepig.2013.11.002
• 作为产物：
  描述：

  4-溴异喹啉 、 4-甲酰基苯硼酸 在 四(三苯基膦)钯 、 potassium carbonate 作用下， 以 四氢呋喃 为溶剂， 反应 12.0h， 以85%的产率得到4-(异喹啉-4-基)苯甲醛
  参考文献：
  名称：

  Synthesis, characterisation and electroluminescence behaviour of π-conjugated imidazole–isoquinoline derivatives

  摘要：

  A series of highly fluorescent, isoquinoline it-conjugated imidazole derivatives have been synthesized and fully characterized. Their photophysical, electrochemical and thermal properties have also been discussed. The interplay of amorphous and crystalline nature of the compounds in thin film and fine powder have been analysed by using X-ray diffraction and atomic force microscopic (AFM) techniques. An organic light emitting diode consisting of 4-(4-(1-(4-methoxyphenyl)-4,5-diphenyl-1H-imidazol-2yl)phenyl)isoquinoline as the emitting layer doped with 4,4'-Bis(N-carbazolyl)-1,1'-biphenyl (CPB) showed ideal blue emission (CIE: 0.16, 0.08). "Pure" white light (CIE: 0.34, 0.32) comprising of a blue light from excimers and an orange light from electromers at a high voltage has been achieved by using the compounds 2-(4-(isoquinolin-4-yl)phenyl)-1H-phenanthro[9,10-d]imidazole & 2-(4-(isoquinolin-4-yl) phenyl)-1-(4-methoxyphenyl)-1H-phenanthro[9,10-d]imidazole as single-emitting components. To elucidate the structural and optical properties, computational calculations have been performed. Computed results reveal all the electronic transitions are of pi -> pi* type and energy of the S-0 -> S-1 follows same variation trend with the band gap. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.dyepig.2013.11.002

文献信息

• CYCLOALKANE-1,3-DIAMINE DERIVATIVE
  申请人：Daiichi Sankyo Company, Limited

  公开号：EP3892278A1

  公开（公告）日：2021-10-13

  The present invention provides a compound or a pharmaceutically acceptable salt thereof having an inhibitory action on the interaction between menin and an MLL protein. The compound represented by the formula (1) or a pharmaceutically acceptable salt thereof. wherein, in the formula (1), the dotted circle, R1, R2, R3, R4, R5, R6, R7, R8, Ring Q1, W, m and n are each as defined in the description.

  本发明提供了一种化合物或其药学上可接受的盐，对 Menin 与 MLL 蛋白之间的相互作用具有抑制作用。式（1）所代表的化合物或其药学上可接受的盐。 其中，在式(1)中，虚圈、R1、R2、R3、R4、R5、R6、R7、R8、环Q1、W、m和n各自如描述中所定义。
• Cycloalkane-1,3-diamine derivative
  申请人：Daiichi Sankyo Company, Limited

  公开号：US11236106B2

  公开（公告）日：2022-02-01

  The present invention provides a compound or a pharmaceutically acceptable salt thereof having an inhibitory action on the interaction between menin and an MLL protein. The compound represented by the formula (1) or a pharmaceutically acceptable salt thereof. wherein, in the formula (1), the dotted circle, R1, R2, R3, R4, R5, R6, R7, R8, Ring Q1, W, m and n are each as defined in the description.

  本发明提供了一种化合物或其药学上可接受的盐，对 Menin 与 MLL 蛋白之间的相互作用具有抑制作用。式（1）所代表的化合物或其药学上可接受的盐。 其中，式（1）中的圆点、R1、R2、R3、R4、R5、R6、R7、R8、环 Q1、W、m 和 n 各如说明中所定义。
• Synthesis, characterisation and electroluminescence behaviour of π-conjugated imidazole–isoquinoline derivatives
  作者：N. Nagarajan、Asit Prakash、G. Velmurugan、Nanda Shakti、Monica Katiyar、P. Venuvanalingam、R. Renganathan

  DOI：10.1016/j.dyepig.2013.11.002

  日期：2014.3

  A series of highly fluorescent, isoquinoline it-conjugated imidazole derivatives have been synthesized and fully characterized. Their photophysical, electrochemical and thermal properties have also been discussed. The interplay of amorphous and crystalline nature of the compounds in thin film and fine powder have been analysed by using X-ray diffraction and atomic force microscopic (AFM) techniques. An organic light emitting diode consisting of 4-(4-(1-(4-methoxyphenyl)-4,5-diphenyl-1H-imidazol-2yl)phenyl)isoquinoline as the emitting layer doped with 4,4'-Bis(N-carbazolyl)-1,1'-biphenyl (CPB) showed ideal blue emission (CIE: 0.16, 0.08). "Pure" white light (CIE: 0.34, 0.32) comprising of a blue light from excimers and an orange light from electromers at a high voltage has been achieved by using the compounds 2-(4-(isoquinolin-4-yl)phenyl)-1H-phenanthro[9,10-d]imidazole & 2-(4-(isoquinolin-4-yl) phenyl)-1-(4-methoxyphenyl)-1H-phenanthro[9,10-d]imidazole as single-emitting components. To elucidate the structural and optical properties, computational calculations have been performed. Computed results reveal all the electronic transitions are of pi -> pi* type and energy of the S-0 -> S-1 follows same variation trend with the band gap. (C) 2013 Elsevier Ltd. All rights reserved.