3-(1-hydroxycyclohexyl)-1,2,4-triazole | 127237-74-5

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 3-(1-hydroxycyclohexyl)-1,2,4-triazole
• 英文别名: 1-(1H-1,2,4-triazol-5-yl)cyclohexan-1-ol
• CAS: 127237-74-5
• 化学式: C₈H₁₃N₃O
• 分子量: 167.211
• InChiKey: IMMWJPGLALPULS-UHFFFAOYSA-N

物化性质

• 沸点：
  374.9±44.0 °C(Predicted)
• 密度：
  1.278±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  61.8
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  3-(1-Hydroxycyclohexyl)-1-(α-pyrrolidinomethyl)-1,2,4-triazole 在 sodium tetrahydroborate 作用下， 以 乙醇 为溶剂， 反应 3.0h， 生成 3-(1-hydroxycyclohexyl)-1,2,4-triazole 、 3-(1-hydroxycyclohexyl)-1,2,4-triazole
  参考文献：
  名称：

  Synthesis of 3(5)-substituted 1,2,4-triazoles by lithiation of 1-(1-pyrrolidinomethyl)-1,2,4-triazole

  摘要：

  DOI：

  10.1016/s0040-4020(01)85445-4

文献信息

• Asymmetric induction using chiral 1,2,4-triazole and benzimidazole derivatives
  作者：Alan R. Katritzky、Diana C. Aslan、Peter Leeming、Peter J. Steel

  DOI：10.1016/s0957-4166(97)00155-9

  日期：1997.5

  Lithiated N-substituted 1,2,4-triazoles 3 and 8 and benzimidazole 11 reacted with (1R)-fenchone to give derivatives 5c, 9 and 12 in good yields as single diastereoisomers. (S)-Lactic acid 16 reacted with o-phenylenediamine 15 to give optically pure (S)-2-(I-hydroxyethyl)benzimidazole 17 (85%). Ring closures converted the fenchone derivative 12 into novel tricyclic fused benzimidazoles 13 and 14, and converted oxazolidine derivative 17 into compound 18 in yields of 50-70% as single diastereoisomers. Lithiated derivative 18 was alkylated to give compound 19 as a single diastereoisomer in high yield. (C) 1997 Elsevier Science Ltd.
• Synthesis of 3(5)-substituted 1,2,4-triazoles by lithiation of 1-(1-pyrrolidinomethyl)-1,2,4-triazole
  作者：Alan R. Katritzky、Ping Lue、Konstantina Yannakopoulou

  DOI：10.1016/s0040-4020(01)85445-4

  日期：1990.1