5-(4-bromobutoxy)-N1,N3-di-tert-butylisophthalamide | 1393448-68-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 5-(4-bromobutoxy)-N1,N3-di-tert-butylisophthalamide
• CAS: 1393448-68-4
• 化学式: C₂₀H₃₁BrN₂O₃
• 分子量: 427.382
• InChiKey: IKNFPSAKJVIDBJ-UHFFFAOYSA-N

物化性质

• 沸点：
  537.0±50.0 °C(Predicted)
• 密度：
  1.200±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  26.0
• 可旋转键数：
  7.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  67.43
• 氢给体数：
  2.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  5-(4-bromobutoxy)-N1,N3-di-tert-butylisophthalamide 在 硫脲 、 sodium hydroxide 、 盐酸 作用下， 以 乙醇 、 水 为溶剂， 以63%的产率得到1,4-二溴丁烷
  参考文献：
  名称：

  Redox-responsive morphology transformation of self-assembled nanostructures based on thiol-disulfide interconversion

  摘要：

  One dimensional (1D) nanotubes and three dimensional (3D) flowerlike supernanostructures were transformed reversibly, which was controlled by the oxidation and reduction cycle of aromatic diamide-derived thiol 1 and disulfide 2, as evidenced by SEM study. Their self-assembling patterns were investigated by UV-vis, H-1 NMR, X-ray crystallographic, and powder X-ray diffraction experiments. (c) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2012.06.063
• 作为产物：
  描述：

  1,4-二溴丁烷 、 3,5-bis-tert-butylcarbamoyl-phenol 在 potassium carbonate 作用下， 以 丙酮 为溶剂， 以73%的产率得到5-(4-bromobutoxy)-N1,N3-di-tert-butylisophthalamide
  参考文献：
  名称：

  Redox-responsive morphology transformation of self-assembled nanostructures based on thiol-disulfide interconversion

  摘要：

  One dimensional (1D) nanotubes and three dimensional (3D) flowerlike supernanostructures were transformed reversibly, which was controlled by the oxidation and reduction cycle of aromatic diamide-derived thiol 1 and disulfide 2, as evidenced by SEM study. Their self-assembling patterns were investigated by UV-vis, H-1 NMR, X-ray crystallographic, and powder X-ray diffraction experiments. (c) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2012.06.063