2-溴-3-(4-氯苯基)-1-(5-硝基呋喃-2-基)丙-2-烯-1-酮 | 90251-81-3

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 肉桂酸及其衍生物
• 中文名称: 2-溴-3-(4-氯苯基)-1-(5-硝基呋喃-2-基)丙-2-烯-1-酮
• 英文名称: 2-Bromo-3-(4-chlorophenyl)-1-(5-nitrofuran-2-yl)prop-2-en-1-one
• 英文别名: 2-bromo-3-(4-chlorophenyl)-1-(5-nitrofuran-2-yl)prop-2-en-1-one
• CAS: 90251-81-3
• 化学式: C₁₃H₇BrClNO₄
• 分子量: 356.56
• InChiKey: GBHIZYHGEXKGFV-UHFFFAOYSA-N

物化性质

• 熔点：
  175-177 °C(Solv: ethanol (64-17-5))
• 沸点：
  476.6±45.0 °C(Predicted)
• 密度：
  1.702±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  20
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 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：

  4-氨基-5-苯基-4H-1,2,4-三唑-3-硫醇 、 2-溴-3-(4-氯苯基)-1-(5-硝基呋喃-2-基)丙-2-烯-1-酮 在 sodium acetate 作用下， 以 乙醇 、 水 为溶剂， 反应 3.0h， 以45%的产率得到(7Z)-7-[(4-chlorophenyl)methylidene]-6-(5-nitrofuran-2-yl)-3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
  参考文献：
  名称：

  Synthesis, structural characterization, crystallographic analysis and antibacterial properties of some nitrofuryl triazolo[3,4-b]-1,3,4-thiadiazines

  摘要：

  A series of 1-(5-nitro-2-furyl)-2-bromo-3-aryl-2-propen-1-ones has been prepared through dehydrobromination of 2,3-dibromo-1-(5-nitro-2-furyl)-3-arylpropan-1-ones. Condensation of 1-(5-nitro-2-furyl)-2-bromo-3-aryl-2-propen-1-ones with 4-amino-5-mercapto-1,2,4-triazoles afforded a new class of 6-(5-nitro-2-furyl)-7-arylidene-1,2,4-triazolo[3,4-b]-1,3,4-thiadiazines. The structure of the condensation products are fully confirmed by analytical, IR, NMR and mass spectral data. The formation of 1,2,4-triazolo[3,4-b]-1,3,4-thiadiazines rather than 1,2,4-triazolo[3,4-b]-1,3,4-thiadiazepines in the above condensation has also been confirmed by X-ray crystallographic analysis. The newly synthesized compounds have been screened for their in vitro antibacterial activity against Gram-positive and Gram-negative bacteria.

  DOI：

  10.1016/0223-5234(94)90100-7
• 作为产物：
  描述：

  2-乙酰基-5-硝基呋喃 在 硫酸 、 溴 、 三乙胺 作用下， 以 氯仿 、 溶剂黄146 、 苯 为溶剂， 反应 72.0h， 生成 2-溴-3-(4-氯苯基)-1-(5-硝基呋喃-2-基)丙-2-烯-1-酮
  参考文献：
  名称：

  Tulecki, Jerzy; Sobiak, Stanislaw, Polish Journal of Chemistry, 1982, vol. 56, # 10-12, p. 1559 - 1562

  摘要：

  DOI：

文献信息

• Synthesis, structural characterization, crystallographic analysis and antibacterial properties of some nitrofuryl triazolo[3,4-b]-1,3,4-thiadiazines
  作者：BS Holla、B Kalluraya、KR Sridhar、E Drake、LM Thomas、KK Bhandary、MJ Levine

  DOI：10.1016/0223-5234(94)90100-7

  日期：1994.1

  A series of 1-(5-nitro-2-furyl)-2-bromo-3-aryl-2-propen-1-ones has been prepared through dehydrobromination of 2,3-dibromo-1-(5-nitro-2-furyl)-3-arylpropan-1-ones. Condensation of 1-(5-nitro-2-furyl)-2-bromo-3-aryl-2-propen-1-ones with 4-amino-5-mercapto-1,2,4-triazoles afforded a new class of 6-(5-nitro-2-furyl)-7-arylidene-1,2,4-triazolo[3,4-b]-1,3,4-thiadiazines. The structure of the condensation products are fully confirmed by analytical, IR, NMR and mass spectral data. The formation of 1,2,4-triazolo[3,4-b]-1,3,4-thiadiazines rather than 1,2,4-triazolo[3,4-b]-1,3,4-thiadiazepines in the above condensation has also been confirmed by X-ray crystallographic analysis. The newly synthesized compounds have been screened for their in vitro antibacterial activity against Gram-positive and Gram-negative bacteria.
• Tulecki, Jerzy; Sobiak, Stanislaw, Polish Journal of Chemistry, 1982, vol. 56, # 10-12, p. 1559 - 1562
  作者：Tulecki, Jerzy、Sobiak, Stanislaw

  DOI：——

  日期：——