1-(4-dimethylamino-phenyl)-4-nitro-3-phenyl-butan-1-one | 908845-95-4

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 直链 1,3-二芳基丙烷
• 英文名称: 1-(4-dimethylamino-phenyl)-4-nitro-3-phenyl-butan-1-one
• 英文别名: 1-[4-(Dimethylamino)phenyl]-4-nitro-3-phenylbutan-1-one；1-[4-(dimethylamino)phenyl]-4-nitro-3-phenylbutan-1-one
• CAS: 908845-95-4
• 化学式: C₁₈H₂₀N₂O₃
• 分子量: 312.368
• InChiKey: PHSSUQWLVUYOQG-UHFFFAOYSA-N

物化性质

• 熔点：
  87-88 °C
• 沸点：
  502.9±50.0 °C(Predicted)
• 密度：
  1.173±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  23
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  66.1
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1-(4-dimethylamino-phenyl)-4-nitro-3-phenyl-butan-1-one 在 乙酸铵 、 三氟化硼乙醚 、 N,N-二异丙基乙胺 作用下， 以 乙醇 、 二氯甲烷 为溶剂， 反应 48.0h， 生成 4-[1-difluoroboranyl-5-[(Z)-[5-[4-(dimethylamino)phenyl]-3-phenylpyrrol-2-ylidene]amino]-4-phenylpyrrol-2-yl]-N,N-dimethylaniline
  参考文献：
  名称：

  Near-Infrared Sensing Properties of Dimethlyamino-Substituted BF₂−Azadipyrromethenes

  摘要：

  The synthesis and sensing characteristics of a new class of organic colorimetric and fluorometric chemosensor which operates in the 850 650 nm spectral region is outlined. Judicious placing of amine substituents on the BF2-chelated tetraarylazadipyrromethene chromophore generates a triple absorption and emission responsive sensor. Dramatic pH responsive absorption and fluorescence changes can be observed across a broad acidity range, from pH 5 to 6 M HCl, in conjunction with a visible colorimetric change from red to purple to blue.

  DOI：

  10.1021/ol061171x
• 作为产物：
  描述：

  硝基甲烷 、 (E)-1-[4-(dimethylamino)phenyl]-3-phenylprop-2-en-1-one 在 二乙胺 作用下， 以 甲醇 为溶剂， 反应 24.0h， 以71%的产率得到1-(4-dimethylamino-phenyl)-4-nitro-3-phenyl-butan-1-one
  参考文献：
  名称：

  Near-Infrared Sensing Properties of Dimethlyamino-Substituted BF₂−Azadipyrromethenes

  摘要：

  The synthesis and sensing characteristics of a new class of organic colorimetric and fluorometric chemosensor which operates in the 850 650 nm spectral region is outlined. Judicious placing of amine substituents on the BF2-chelated tetraarylazadipyrromethene chromophore generates a triple absorption and emission responsive sensor. Dramatic pH responsive absorption and fluorescence changes can be observed across a broad acidity range, from pH 5 to 6 M HCl, in conjunction with a visible colorimetric change from red to purple to blue.

  DOI：

  10.1021/ol061171x

文献信息

• Near-Infrared Sensing Properties of Dimethlyamino-Substituted BF₂−Azadipyrromethenes
  作者：Shane O. McDonnell、Donal F. O'Shea

  DOI：10.1021/ol061171x

  日期：2006.8.1

  The synthesis and sensing characteristics of a new class of organic colorimetric and fluorometric chemosensor which operates in the 850 650 nm spectral region is outlined. Judicious placing of amine substituents on the BF2-chelated tetraarylazadipyrromethene chromophore generates a triple absorption and emission responsive sensor. Dramatic pH responsive absorption and fluorescence changes can be observed across a broad acidity range, from pH 5 to 6 M HCl, in conjunction with a visible colorimetric change from red to purple to blue.