1-三甲硅基-1H-1,2,3-三唑 | 13257-88-0

• 分子结构分类: 有机化合物 - 有机金属化合物 - 有机类金属化合物
• 中文名称: 1-三甲硅基-1H-1,2,3-三唑
• 英文名称: 1-(trimethylsilyl)-1H-1,2,3-triazole
• 英文别名: N-(trimethylsilyl)-1,2,3-triazole；trimethyl(triazol-1-yl)silane
• CAS: 13257-88-0
• 化学式: C₅H₁₁N₃Si
• mdl: MFCD02181165
• 分子量: 141.248
• InChiKey: MJXUZAHRGOEWSQ-UHFFFAOYSA-N

物化性质

• 沸点：
  159.7±23.0 °C(Predicted)
• 密度：
  0.9517 g/cm3(Temp: 19 °C)

计算性质

• 辛醇/水分配系数(LogP)：
  0.91
• 重原子数：
  9
• 可旋转键数：
  1
• 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

安全信息

• 海关编码：
  2933990090

反应信息

• 作为反应物：
  描述：

  二甲基溴化硼 、 1-三甲硅基-1H-1,2,3-三唑 以 正己烷 为溶剂， 以60-70的产率得到{Me2B(1,2,3-triazole(-H))}4
  参考文献：
  名称：

  Niedenzu; Woodrum, Inorganic Chemistry, 1989, vol. 28, # 21, p. 4022 - 4026

  摘要：

  DOI：
• 作为产物：
  描述：

  1H-1,2,3-三氮唑 、 六甲基二硅氮烷 反应 2.0h， 生成 1-三甲硅基-1H-1,2,3-三唑
  参考文献：
  名称：

  Synthesis of 4′-Trifluoromethyl Nucleoside Analogs

  摘要：

  A strategy based on the use of (trifluoromethyl)trimethylsilane for introduction of the trifluoromethyl group at the C-4 of ribose has been developed and utilized in the synthesis of various novel 4'-trifluoromethylated nucleoside analogs. Screening of these analogs against HN did not reveal significant biological activity.

  DOI：

  10.1080/07328319808004312

文献信息

• Chemistry of N,N-Bis(silyloxy)enamines, Part 5
  作者：Alexey V. Lesiv、Sema L. Ioffe、Yury A. Strelenko、Vladimir A. Tartakovsky

  DOI：10.1002/1522-2675(200210)85:10<3489::aid-hlca3489>3.0.co;2-6

  日期：2002.10

  Aliphatic nitro compounds can be considered as good precursors of a wide variety of alpha-azolyl-substituted oximes. The double silylation of convenient aliphatic nitro compounds and the subsequent N,C-coupling of the resulting N,N-bis(silyloxy)enamines 3 with N-silylated azoles 4 lead to the formation of the silylated alpha-azolyl-substituted oximes 6, which can be smoothly desilylated to give the target a-azolyl-substituted oximes 5. The mechanism of the key step of this process -N,C-coupling - includes the generation of corresponding conjugated nitrosoalkenes 7 (Schemes 4 and 5). The contribution of the chain mechanism in the overall process is considered as well. The studies of the scope and limitations of this reaction, as well as the optimization of its conditions were accomplished. The configuration of the C=N bond in oximes was established by NMR.
• Wessel, Jens; Behrens, Ulrich; Lork, Enno, Angewandte Chemie, 1995, vol. 107, # 4, p. 516 - 519
  作者：Wessel, Jens、Behrens, Ulrich、Lork, Enno、Mews, Ruediger

  DOI：——

  日期：——
• Hoffmann, Siegfried; Hartung, Klaus-Juergen; Hanh, Nguyen thi, Zeitschrift fur Chemie, 1986, vol. 26, # 3, p. 105 - 106
  作者：Hoffmann, Siegfried、Hartung, Klaus-Juergen、Hanh, Nguyen thi、Mewes, Reinhard、Baluzow, Wenelin

  DOI：——

  日期：——
• NMR study of C- and N-trimethylsilylazole derivatives
  作者：Lyudmila I. Larina、Mikhail S. Sorokin、Aleksandr I. Albanov、Valentina N. Elokhina、Nadezhda I. Protsuk、Valentin A. Lopyrev

  DOI：10.1002/(sici)1097-458x(199802)36:2<110::aid-omr224>3.3.co;2-6

  日期：1998.2

  C- and N-trimethylsilylazole derivatives were studied by H-1, C-13 and Si-29 NMR spectroscopy. Degenerated prototropic tautomerism of 4-trimethylsilylpyrazole in methanol and the silylotropy of 1-trimethylsilyl-4-methylpyrazole in a neat liquid were investigated for the first time. 3- and 5-tautomers of 3(5)-methylpyrazole in a ratio of 54:46 were found in methanol by use C-13 NMR spectroscopy (T-c = 230 K, Delta G(c)(not equal) = 10 kcal mol(-1)). (C) 1998 John Wiley & Sons, Ltd.
• HOFFMANN, S.;HARTUNG, K. -J.;NGUYEN, TI, HANH;MEWES, R.;BALUZOW, W., Z. CHEM., 1986, 26, N 3, 105-106
  作者：HOFFMANN, S.、HARTUNG, K. -J.、NGUYEN, TI, HANH、MEWES, R.、BALUZOW, W.

  DOI：——

  日期：——