1-propyl-4-nitropyrrole-2-carbonyl chloride | 58902-80-0

• 分子结构分类: 有机化合物 - 有机1,3-偶极化合物 - 烯丙基型1,3-偶极有机化合物
• 英文名称: 1-propyl-4-nitropyrrole-2-carbonyl chloride
• 英文别名: 4-nitro-1-propylpyrrole-2-carbonyl chloride
• CAS: 58902-80-0
• 化学式: C₈H₉ClN₂O₃
• 分子量: 216.624
• InChiKey: RZIZDYSFDSESSX-UHFFFAOYSA-N

物化性质

• 沸点：
  321.4±22.0 °C(Predicted)
• 密度：
  1.39±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  67.8
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-propyl-4-nitropyrrole-2-carbonyl chloride 在 platinum(IV) oxide 氢气 、 1-羟基苯并三唑 、 三乙胺 、 N,N'-二环己基碳二亚胺 作用下， 以 盐酸 、 乙醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 27.5h， 生成 dibenzyl ((((((((pentane-1,5-diylbis(azanediyl))bis(carbonyl))bis(1-propyl-1H-pyrrole-5,3-diyl))bis(azanediyl))bis(carbonyl))bis(1-propyl-1H-pyrrole-5,3-diyl))bis(azanediyl))bis(2-oxoethane-2,1-diyl))dicarbamate
  参考文献：
  名称：

  摘要：

  Bis-Netropsins with the C-ends of their netropsin fragments tethered via tetra- or pentamethylene linkers and with Gly or L-Lys-Gly residues on their N-ends were synthesized. The footprinting technique was used to study the specificity of bis-netropsin binding to the specially constructed DNA fragments containing various clusters of A . T pairs. It was found that the tinker length affects the binding of bis-netropsins, with the tetramethylene tinker providing better protection than the pentamethylene tinker. It was shown that the newly synthesized bis-netropsins bind tighter to the 5'-A(4)T(4)-3' sequence, whereas the bis-netropsin with a linker between the netropsin N-ends binds better to 5'-T(4)A(4)-3' sequences.

  DOI：

  10.1023/a:1021241515208
• 作为产物：
  描述：

  1-propyl-4-nitropyrrole-2-carboxylic acid 在 氯化亚砜 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 0.67h， 生成 1-propyl-4-nitropyrrole-2-carbonyl chloride
  参考文献：
  名称：

  摘要：

  Bis-Netropsins with the C-ends of their netropsin fragments tethered via tetra- or pentamethylene linkers and with Gly or L-Lys-Gly residues on their N-ends were synthesized. The footprinting technique was used to study the specificity of bis-netropsin binding to the specially constructed DNA fragments containing various clusters of A . T pairs. It was found that the tinker length affects the binding of bis-netropsins, with the tetramethylene tinker providing better protection than the pentamethylene tinker. It was shown that the newly synthesized bis-netropsins bind tighter to the 5'-A(4)T(4)-3' sequence, whereas the bis-netropsin with a linker between the netropsin N-ends binds better to 5'-T(4)A(4)-3' sequences.

  DOI：

  10.1023/a:1021241515208