4-(4-Nitro-2-thiazolylazo)resorcin | 58874-05-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 4-(4-Nitro-2-thiazolylazo)resorcin
• 英文别名: 4-[2-(5-nitrothiazol-2-yl)diazenyl]benzene-1,3-diol；4-(5-nitro-thiazol-2-ylazo)-benzene-1,3-diol；3-Hydroxy-4-[2-(5-nitro-1,3-thiazol-2-yl)hydrazinylidene]cyclohexa-2,5-dien-1-one；4-[(5-nitro-1,3-thiazol-2-yl)diazenyl]benzene-1,3-diol
• CAS: 58874-05-8
• 化学式: C₉H₆N₄O₄S
• 分子量: 266.237
• InChiKey: FAIJLQAKGYYKSM-UHFFFAOYSA-N

物化性质

• 沸点：
  523.0±42.0 °C(Predicted)
• 密度：
  1.78±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  152
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  2-氨基-5-硝基噻唑 、 间苯二酚 在 硫酸 、 sodium nitrite 、 sodium hydroxide 作用下， 以 溶剂黄146 、 丙酸 为溶剂， 反应 4.0h， 以45%的产率得到4-(4-Nitro-2-thiazolylazo)resorcin
  参考文献：
  名称：

  Studies on nonlinear optical polyurethanes containing heterocyclic chromophores

  摘要：

  This paper presents the synthesis of highly stable nitro-substituted thiazole, benzothiazole and thiadiazole chromophores. With these, a series of second-order nonlinear optical (NLO) responsive polyurethanes were successfully synthesized from tolylene-2,4-diisocyanate (TDI) and 4,4'-methylenedi(phenyl isocyanate) (MDI). Molecular structural characterization of these polyurethanes was achieved by H-1 NMR, FT-IR, GPC and analytical data. The weight-average molecular weights (M-w) of the resulting polyurethanes were determined by GPC and ranged between 22,100 and 26,700. All the polyurethanes were highly soluble in aprotic solvents such as tetrahydrofuran, cyclohexanone, N,N-dimethylformamide, N,N-dimethylacetamide, dimethylsulphoxide, N-methyl-2-pyrolidinone, etc. The thermal behaviour of these polyurethanes was investigated using differential scanning calorimetry (DSC) and thermogravimetric analysis (TGA). Their glass transition temperatures were in the range 140-165 degrees C and most of the polymers showed high thermal stability. With an in situ poling and temperature ramping technique, the optimal temperatures (T(opt)s) for corona poling were determined for the largest second-order NLO response. The second harmonic generation (SHG) coefficients (d(33)) of the poled polyurethane films range from 62.21 to 103.11 pm/V at 1064 nm. All the poled films showed outstanding orientational stability up to 120 degrees C without any measurable decay in the SHG signal. Of these, the polyurethane with nitro-substituted benzothiazole moiety (IIb) showed the best dynamical thermal stability of the poling-induced dipole alignment up to similar to 150 degrees C. (C) 2011 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molstruc.2010.12.010

文献信息

• Otutu; Osabohien; Efurhievwe, Oriental Journal of Chemistry, 2011, vol. 27, # 4, p. 1389 - 1396
  作者：Otutu、Osabohien、Efurhievwe

  DOI：——

  日期：——