5-bromo-N-butyl-3,4-dinitrothiophen-2-amine

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻吩类
• 英文名称: 5-bromo-N-butyl-3,4-dinitrothiophen-2-amine
• 化学式: C₈H₁₀BrN₃O₄S
• 分子量: 324.155
• InChiKey: NSTFRBONVRTIMR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  17
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  132
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  2,5-二溴-3,4-二硝基噻吩 、 正丁胺 以 四氢呋喃 、 乙醇 为溶剂， 反应 2.0h， 生成 5-bromo-N-butyl-3,4-dinitrothiophen-2-amine
  参考文献：
  名称：

  Novel synthesis of poly(3,4-dinitro-thiophen-2-yl arylamine) derivatives via facile C–Br/N–H bulk polycondensation and its application of thermalsensor

  摘要：

  C-Br/N-H bulk polycondensation is firstly proposed and corresponding poly(3,4-dinitm-thiophen-2-yl aryl-amine)s derivatives have been successfully obtained with quantitative yield. Typical crystal analysis reveals that its effective reaction points distance (RPD, distance between Br and H atom) is 5.083 angstrom, which is 66.7% longer than the sum of van der Waals radius (r(w)) of bromine and hydrogen atoms (3.05 angstrom). Carbazole-based monomer was explored as a thermalsensor with excellent relative sensitivity (S-a) of 0.45% K-1.

  DOI：

  10.1016/j.polymer.2020.122550