1,3,5-trimethyl-1,2,4-triazole | 16759-44-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 1,3,5-trimethyl-1,2,4-triazole
• 英文别名: 1,3,5-trimethyl-1H-[1,2,4]triazole；1,3,5-Trimethyl-1H-[1,2,4]triazol；1,3,5-Trimethyl-1,2,4-triazol；1,3,5-Trimethyl-s-triazol；1,3,5-Trimethyl-1H-1,2,4-triazole
• CAS: 16759-44-7
• 化学式: C₅H₉N₃
• 分子量: 111.147
• InChiKey: KMCTYPZAZQQIFP-UHFFFAOYSA-N

物化性质

• 沸点：
  193 °C(Press: 755 Torr)
• 密度：
  1.037 g/cm3

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  8
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  30.7
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1,3,5-trimethyl-1,2,4-triazole 、 2-甲硫基苯并噻唑 在 对甲苯磺酸甲酯 作用下， 生成 (3-methyl-benzothiazol-2-yl)-(2,4,5-trimethyl-2(4)H-[1,2,4]triazol-3-yl)-methinium ; perchlorate
  参考文献：
  名称：

  765.哒嗪季盐的结构和反应性

  摘要：

  DOI：

  10.1039/jr9590003789
• 作为产物：
  描述：

  C₅H₁₁N₃ 反应 4.0h， 生成 1,3,5-trimethyl-1,2,4-triazole
  参考文献：
  名称：

  Synthesis and structure of 1-methyl-2,3-dihydro-1,2,4-triazolium salts and their free bases

  摘要：

  DOI：

  10.1007/bf00503615

文献信息

• Triazoles. Part II. N-substitution of some 1 : 2 : 4-triazoles
  作者：M. R. Atkinson、J. B. Polya

  DOI：10.1039/jr9540000141

  日期：——
• Photochemistry of N-(benzoylimino)-1,2,4-triazolium and N-(benzoylimino)pyridinium ylides: a source of benzoylnitrene useful in photolabeling and photo-cross-linking experiments
  作者：Charles R. Arnold、Tracy Melvin、William M. Nelson、Gary B. Schuster

  DOI：10.1021/jo00038a017

  日期：1992.6

  The photochemistry of substituted 1-(benzoylimino)pyridinium and 4-(N-benzoylimino)-1,2,4-triazolium ylides was investigated to judge their capacity to give aroylnitrenes and their suitability for use in photolabeling experiments. Evidence presented indicates that the triplet states of the ylides cleave to generate aroylnitrenes. In an attempt to enhance triplet formation, nitro- and acetyl-substituted pyridinium ylides were examined. Their irradiation does not give nitrenes in meaningful yield. However, irradiation of the triazolium ylides gives nitrenes in excellent yield. The mechanism of these reactions was probed, and additional evidence is obtained that supports the proposal that benzoylnitrene is a singlet in its ground state. The triazolium ylides may be suitable reagents for photolabeling applications.
• KALININ, A. V.;APASOV, EH. T.;BUGAEVA, S. V.;IOFFE, S. L.;TARTAKOVSKIJ, V+, IZV. AN CCCP. CEP. XIM., 1983, N 6, 1413-1415
  作者：KALININ, A. V.、APASOV, EH. T.、BUGAEVA, S. V.、IOFFE, S. L.、TARTAKOVSKIJ, V+

  DOI：——

  日期：——
• PINSON, V. V.;XRUSTALEV, V. A.;ZELENIN, K. N.;MATVEEVA, Z. M., XIMIYA GETEROTSIKL. SOEDIN., 1984, N 10, 1415-1421
  作者：PINSON, V. V.、XRUSTALEV, V. A.、ZELENIN, K. N.、MATVEEVA, Z. M.

  DOI：——

  日期：——
• 765. The structure and reactivity of pyridazine quaternary salts
  作者：G. F. Duffin、J. D. Kendall

  DOI：10.1039/jr9590003789

  日期：——