2-[[4-[4-(Hydroxymethyl)phenyl]triazol-1-yl]methyl]phenol | 1007587-49-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 2-[[4-[4-(Hydroxymethyl)phenyl]triazol-1-yl]methyl]phenol
• 英文别名: 2-[[4-[4-(hydroxymethyl)phenyl]triazol-1-yl]methyl]phenol
• CAS: 1007587-49-6
• 化学式: C₁₆H₁₅N₃O₂
• 分子量: 281.314
• InChiKey: LNLUZQJOTGKFFI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  21
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  71.2
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-[[4-[4-(Hydroxymethyl)phenyl]triazol-1-yl]methyl]phenol 、 (R)-5,5',6,6'-tetramethyl-[1,1'-biphenyl]-2,2'-diol 在 三乙胺 、 三氯化磷 作用下， 以 四氢呋喃 为溶剂， 反应 20.5h， 以60%的产率得到
  参考文献：
  名称：

  Click-Connected Ligand Scaffolds:  Macrocyclic Chelates for Asymmetric Hydrogenation

  摘要：

  Click chemistry is used to construct ligand scaffolds for a series of chiral diphosphites. Enantioselectivity as high as 97% ee is obtained using these click ligands in rhodium-catalyzed asymmetric hydrogenation. Control experiments and spectroscopic data suggest that a 16-membered PP-macrocyclic Rh(I) chelate is formed.

  DOI：

  10.1021/ol702890s
• 作为产物：
  描述：

  4-乙基苄醇 、 2-(azidomethyl)phenol 在 copper(II) sulfate 、 sodium ascorbate 作用下， 以 乙醇 、 水 为溶剂， 反应 12.0h， 以80%的产率得到2-[[4-[4-(Hydroxymethyl)phenyl]triazol-1-yl]methyl]phenol
  参考文献：
  名称：

  Click-Connected Ligand Scaffolds:  Macrocyclic Chelates for Asymmetric Hydrogenation

  摘要：

  Click chemistry is used to construct ligand scaffolds for a series of chiral diphosphites. Enantioselectivity as high as 97% ee is obtained using these click ligands in rhodium-catalyzed asymmetric hydrogenation. Control experiments and spectroscopic data suggest that a 16-membered PP-macrocyclic Rh(I) chelate is formed.

  DOI：

  10.1021/ol702890s

文献信息

• Click-Connected Ligand Scaffolds:  Macrocyclic Chelates for Asymmetric Hydrogenation
  作者：Qing Zhang、James M. Takacs

  DOI：10.1021/ol702890s

  日期：2008.2.1

  Click chemistry is used to construct ligand scaffolds for a series of chiral diphosphites. Enantioselectivity as high as 97% ee is obtained using these click ligands in rhodium-catalyzed asymmetric hydrogenation. Control experiments and spectroscopic data suggest that a 16-membered PP-macrocyclic Rh(I) chelate is formed.