3-bromo-5-hydrazino-1-(thietan-3-yl)-1H-1,2,4-triazole | 1309438-87-6

• 分子结构分类: 有机化合物 - 有机卤素化合物 - 芳基卤化物
• 英文名称: 3-bromo-5-hydrazino-1-(thietan-3-yl)-1H-1,2,4-triazole
• 英文别名: 3-bromo-1-(thietan-3-yl)-1H-1,2,4-triazol-5-ylhydrazine；3-Bromo-1-(thietan-3-yl)-1h-1,2,4-triazol-5-yl-hydrazine；[5-bromo-2-(thietan-3-yl)-1,2,4-triazol-3-yl]hydrazine
• CAS: 1309438-87-6
• 化学式: C₅H₈BrN₅S
• 分子量: 250.122
• InChiKey: KZDRHAXBAUZWDP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  94.1
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  3-bromo-5-hydrazino-1-(thietan-3-yl)-1H-1,2,4-triazole 、 对硝基苯乙酮 以 乙醇 为溶剂， 反应 2.0h， 以89%的产率得到1-[3-bromo-1-(thietan-3-yl)-1H-1,2,4-triazol-5-yl]-2-[1-(4-nitrophenyl)ethylidene]hydrazine
  参考文献：
  名称：

  Structure and luminescence of thietane-containing 1,2,4-triazoles

  摘要：

  New thietane-containing 1,2,4-triazole derivatives were synthesized, and their structure was determined by (13)C and (1)H NMR spectroscopy and mass spectrometry. The electronic absorption spectra of the new compounds in the ultraviolet and visible regions and their photoluminescence and luminescence excitation spectra were analyzed, and photoluminescence quantum yields were estimated.

  DOI：

  10.1134/s1070363211060235
• 作为产物：
  描述：

  3,5-dibromo-1-(thietan-3-yl)-1,2,4-triazole 在 一水合肼 作用下， 以 正丁醇 为溶剂， 反应 1.0h， 以75%的产率得到3-bromo-5-hydrazino-1-(thietan-3-yl)-1H-1,2,4-triazole
  参考文献：
  名称：

  Structure and luminescence of thietane-containing 1,2,4-triazoles

  摘要：

  New thietane-containing 1,2,4-triazole derivatives were synthesized, and their structure was determined by (13)C and (1)H NMR spectroscopy and mass spectrometry. The electronic absorption spectra of the new compounds in the ultraviolet and visible regions and their photoluminescence and luminescence excitation spectra were analyzed, and photoluminescence quantum yields were estimated.

  DOI：

  10.1134/s1070363211060235

文献信息

• Investigation of the Solution Phase Chemi-Luminescence of 1,2,4-triazole Derivatives
  作者：R. R. Kayumova、R. R. Muslukhov、M. F. Abdullin、E. E. Klen、F. A. Khaliullin、G. F. Magadeeva、A. V. Mamykin、S. L. Khursan

  DOI：10.1007/s10593-014-1553-9

  日期：2014.10

  We discovered and studied the chemiluminescence occurring during the oxidation of 3-bromo-5-hydrazino-1-(thietan-3-yl)-1H-1,2,4-triazole with superoxide anion. The chemiluminescence wavelength interval was 400-590 nm with the maxima (at 436 and 540 nm) matching the peak fluorescence wavelengths of the reaction products. The possible reaction products were determined by NMR spectroscopy, mass spectrometry, IR and UV spectroscopy. The quantum yield of chemiluminescence was 10(-9) E/mol.