4-(1-hydroxycyclohexyl)-1H-1,2,3-triazole-5-carbaldehyde | 1455194-36-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 4-(1-hydroxycyclohexyl)-1H-1,2,3-triazole-5-carbaldehyde
• 英文别名: 5-(1-hydroxycyclohexyl)-2H-triazole-4-carbaldehyde
• CAS: 1455194-36-1
• 化学式: C₉H₁₃N₃O₂
• 分子量: 195.221
• InChiKey: LIOZZVLYYGUUOV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.1
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  78.9
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1,3-二甲基巴比妥酸 、 4-(1-hydroxycyclohexyl)-1H-1,2,3-triazole-5-carbaldehyde 以 乙醇 、 水 为溶剂， 反应 20.0h， 生成
  参考文献：
  名称：

  Catalyst-free three-component synthesis of hydroxyalkyltriazolylmethylidene barbiturates

  摘要：

  5-[(5-Hydroxyalkyl-1H-1,2,3-triazol-4-yl)methylidene]barbiturates were eco-friendly synthesized in up to 89% yields by one-pot three-component processing (no catalyst, H2O-EtOH, room temperature, 38 h) of 4-hydroxyalkynals, trimethylsilyl azide and barbituric acids.

  DOI：

  10.1016/j.mencom.2019.11.017
• 作为产物：
  描述：

  3-(1-羟基环己基)丙-2-炔醛 在 叠氮基三甲基硅烷 作用下， 以 水 为溶剂， 反应 18.0h， 生成 4-(1-hydroxycyclohexyl)-1H-1,2,3-triazole-5-carbaldehyde
  参考文献：
  名称：

  Catalyst-free three-component synthesis of hydroxyalkyltriazolylmethylidene barbiturates

  摘要：

  5-[(5-Hydroxyalkyl-1H-1,2,3-triazol-4-yl)methylidene]barbiturates were eco-friendly synthesized in up to 89% yields by one-pot three-component processing (no catalyst, H2O-EtOH, room temperature, 38 h) of 4-hydroxyalkynals, trimethylsilyl azide and barbituric acids.

  DOI：

  10.1016/j.mencom.2019.11.017

文献信息

• [EN] FUNGICIDAL N-CYCLOALKYL-N-{[ORTHO-(1-SUBSTITUTED-CYCLOALKYL)HETEROARYL]METHYL}PYRAZOLE(THIO)CARBOXAMIDS<br/>[FR] N-CYCLOALKYL-N-{[ORTHO-(1-SUBSTITUÉ-CYCLOALKYL)HÉTÉROARYL]MÉTHYL}PYRAZOLE(THIO)CARBOXAMIDES FONGICIDES
  申请人：BAYER CROPSCIENCE AG

  公开号：WO2016184941A1

  公开（公告）日：2016-11-24

  The invention relates to fungicidal N-cycloalkyl-N-[ortho-(l- substituted-cycloalkyl)heteroaryl]methyl}carboxamides and their thiocarbonyl derivatives of formula (I), their process of preparation and intermediate compounds for their preparation, their use as fungicides, particularly in the form of fungicidal compositions, and methods for the control of phytopathogenic fungi of plants using these compounds or their compositions.

  本发明涉及公式(I)的杀真菌剂N-环烷基-N-[邻-(1-取代环烷基)杂环芳基]甲基}羧酰胺及其硫代氨基衍生物，其制备方法和制备中间体，以及它们作为杀真菌剂的用途，尤其是作为杀真菌剂组合物的形式，以及使用这些化合物或它们的组合物控制植物病原真菌的方法。
• Decisive role of water in efficient noncatalyzed synthesis of polyfunctional 1H-1,2,3-triazoles proceeding from γ-hydroxypropynals
  作者：A. S. Medvedeva、M. M. Demina、T. L. H. Nguyen、T. D. Vu、D. A. Bulanov、V. V. Novokshonov

  DOI：10.1134/s1070428013080216

  日期：2013.8

  A highly efficient method was developed for the synthesis of new polyfunctional 1H-1,2,3-triazoles by the reaction of gamma-hydroxypropynals with trimethylsilyl azide in water at room temperature without catalyst. The addition of trimethylsilyl azide to gamma-hydroxypropynals occurs regioselectively: Previously unknown hydroxyalkyl-1H-1,2,3-triazolecarbaldehydes have been isolated in 69-96% yields with the prevalence of 1,5-isomers and the content of minor 1,4-isomers equal 9-21%. In the reaction of gamma-hydroxypropynals with sodium azide in DMSO the formation of 4-hydroxyalkyl-1H-1,2,3-triazole-5-carbaldehydes is accompanied by the dimerization of initial aldehydes into the corresponding 1,3-dioxolanes.
• FUNGICIDAL N-CYCLOALKYL-N-{[ORTHO-(1-SUBSTITUTED-CYCLOALKYL)HETEROARYL]METHYL}PYRAZOLE(THIO)CARBOXAMIDS
  申请人：Bayer CropScience Aktiengesellschaft

  公开号：EP3298000A1

  公开（公告）日：2018-03-28