{4-[4-(2-hydroxypropan-2-yl)-1H-1,2,3-triazol-1-yl]phenyl}phenylmethanone | 1133862-74-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: {4-[4-(2-hydroxypropan-2-yl)-1H-1,2,3-triazol-1-yl]phenyl}phenylmethanone
• 英文别名: [4-[4-(2-Hydroxypropan-2-yl)triazol-1-yl]phenyl]-phenylmethanone；[4-[4-(2-hydroxypropan-2-yl)triazol-1-yl]phenyl]-phenylmethanone
• CAS: 1133862-74-4
• 化学式: C₁₈H₁₇N₃O₂
• 分子量: 307.352
• InChiKey: NRNJQFVECQTAPT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  23
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  68
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  (4-叠氮基苯基)(苯基)甲酮 、 2-甲基-3-丁炔-2-醇 在 三乙胺 作用下， 以 neat (no solvent) 为溶剂， 反应 24.0h， 以100%的产率得到{4-[4-(2-hydroxypropan-2-yl)-1H-1,2,3-triazol-1-yl]phenyl}phenylmethanone
  参考文献：
  名称：

  Cu/HP20-Catalyzed Solvent-Free Huisgen Cycloaddition at Ordinary Temperatures

  摘要：

  We have developed an environmentally friendly and highly efficient solvent-free Cu(I)-catalyzed azide-alkyne cycloaddition (CuAAC) reaction using a polymer-supported copper catalyst (Cu/HP20). Substrates poorly soluble in common organic solvents are also applicable to the present cycloaddition reaction without any solvents and provide the corresponding 1,4-triazole in high yields.

  DOI：

  10.3987/com-13-s(s)6

文献信息

• Copper/HP20: Novel and Polymer-Supported Copper Catalyst for Huisgen Cycloaddition
  作者：Hironao Sajiki、Yoshiaki Kitamura、Kazumi Taniguchi、Tomohiro Maegawa、Yasunari Monguchi、Yukio Kitade

  DOI：10.3987/com-08-s(f)56

  日期：——

  A polymer-supported copper catalyst (Cu/HP20) is easily prepared in water and effectively catalyzed the Huisgen cycloaddition between azides and terminal alkynes.
• Cu/HP20-Catalyzed Solvent-Free Huisgen Cycloaddition at Ordinary Temperatures
  作者：Hironao Sajiki、Yoshiaki Kitamura、Kazumi Taniguchi、Tomohiro Maegawa、Yasunari Monguchi、Yukio Kitade

  DOI：10.3987/com-13-s(s)6

  日期：——

  We have developed an environmentally friendly and highly efficient solvent-free Cu(I)-catalyzed azide-alkyne cycloaddition (CuAAC) reaction using a polymer-supported copper catalyst (Cu/HP20). Substrates poorly soluble in common organic solvents are also applicable to the present cycloaddition reaction without any solvents and provide the corresponding 1,4-triazole in high yields.