[4-(1-hydroxy-cyclohexyl)-[1,2,3]triazol-1-yl]-acetic acid ethyl ester | 95983-13-4

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: [4-(1-hydroxy-cyclohexyl)-[1,2,3]triazol-1-yl]-acetic acid ethyl ester
• 英文别名: 1-Ethoxycarbonylmethyl-4-(1-hydroxycyclohex-1-yl)-1,2,3-triazol；Ethyl 2-[4-(1-hydroxycyclohexyl)triazol-1-yl]acetate
• CAS: 95983-13-4
• 化学式: C₁₂H₁₉N₃O₃
• 分子量: 253.301
• InChiKey: VPJZMFXUWOMOHF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  18
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  77.2
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  叠氮乙酸乙酯 、 炔环己醇 在 bis[1-(4-sodiumsulfonatepropyl)-3-(2,4,6-trimethylphenyl)-4,5-dihydroimidazolyl-3-ylidine]copper(I) hexafluorophosphate 作用下， 以 neat (no solvent) 为溶剂， 反应 2.5h， 以99%的产率得到[4-(1-hydroxy-cyclohexyl)-[1,2,3]triazol-1-yl]-acetic acid ethyl ester
  参考文献：
  名称：

  Water-soluble NHC-Cu catalysts: applications in click chemistry, bioconjugation and mechanistic analysis

  摘要：

  一系列新型双(NHC)铜(i)催化剂使得在水性介质中通过均相和/或非均相催化条件，生产具有不同取代模式和生物共轭的三唑类化合物，通过“点击”化学方法。

  DOI：

  10.1039/c4ob01350f

文献信息

• [EN] GROUP 9 TRANSITION METAL CATALYSTS AND PROCESS FOR USE OF SAME<br/>[FR] CATALYSEURS À MÉTAL DE TRANSITION DU GROUPE 9 ET PROCÉDÉ D'UTILISATION DE CEUX-CI
  申请人：GUANG MING INNOVATION COMPANY WUHAN

  公开号：WO2014172885A1

  公开（公告）日：2014-10-30

  This invention relates to group 9 transition metal catalysts and process for use of the catalysts in alkyne-azide cycloaddition (Click reaction), in reaction utilizing CO2 as a carbon feedstock to react with epoxides to produce cyclic or polycarbonate products and in reactions utilizing CO2 as a carbon feedstock to react with terminal alkynes to produce carboxylic acids. The catalyst compounds of the invention are represented by the formula (I) wherein M is a Group 9 metal; X is an anionic ligand; L is a two electron donor ligand bearing two ionic groups (G); and by the formula (II) wherein M is a group 9 metal; L1 and L2 are two-electron donor ligands each bearing one ionic group (G) and A - is anion. The present invention also relates to an easy applicable catalyst synthesis and the application in different click-processes, different reactions involving CO2 and their different application fields. The invention has utility in the fields of catalysis, organic synthesis, polymer chemistry, and industrial and fine chemicals chemistry.