5-hydroxymethyl-1-(tetrazol-5-ylmethyl)-1,2,3-triazole | 1335129-98-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 5-hydroxymethyl-1-(tetrazol-5-ylmethyl)-1,2,3-triazole
• 英文别名: [1-(tetrazol-5-ylmethyl)-1H-1,2,3-triazol-4-yl]methanol；[1-(Tetrazol-5-ylmethyl)-1h-1,2,3-triazol-4-yl]-methanol；[1-(2H-tetrazol-5-ylmethyl)triazol-4-yl]methanol
• CAS: 1335129-98-0
• 化学式: C₅H₇N₇O
• 分子量: 181.157
• InChiKey: SCOYLHQMICWTRU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -2
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  105
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  5-hydroxymethyl-1-(tetrazol-5-ylmethyl)-1,2,3-triazole 、 苯甲酰基叠氮化物 以 1,4-二氧六环 为溶剂， 以64%的产率得到1-[(tetrazol-5-yl)methyl]-4-[(N-phenylcarbamoyl)oxymethyl]-1,2,3-triazole
  参考文献：
  名称：

  The curtius reaction in the synthesis of noncondensed polynuclear azoles

  摘要：

  Polynuclear noncondensed systems in which the azole rings are bound by urethane or carbamide fragments have been synthesized by the reaction of azole carboxylic acid azides with heterocyclic alcohols.

  DOI：

  10.1007/s10593-011-0781-5
• 作为产物：
  描述：

  5-(azidomethyl)tetrazole 、 2-丙炔-1-醇 以 乙醇 为溶剂， 反应 10.0h， 以78%的产率得到5-hydroxymethyl-1-(tetrazol-5-ylmethyl)-1,2,3-triazole
  参考文献：
  名称：

  The curtius reaction in the synthesis of noncondensed polynuclear azoles

  摘要：

  Polynuclear noncondensed systems in which the azole rings are bound by urethane or carbamide fragments have been synthesized by the reaction of azole carboxylic acid azides with heterocyclic alcohols.

  DOI：

  10.1007/s10593-011-0781-5

文献信息

• Synthesis of polynuclear azoles linked through carbamate and urea bridges
  作者：T. V. Golobokova、F. A. Pokatilov、A. G. Proidakov、M. V. Kazantseva、G. G. Shevchenko、L. I. Vereshchagin、V. N. Kizhnyaev

  DOI：10.1134/s1070428012040185

  日期：2012.4

  Polynuclear azoles linked through carbamate and urea fragments were synthesized by reactions of the corresponding azolecarboxylic acid azides with heterocyclic alcohols and amines.