1-(benzyl)-4-(4-methoxyphenyl)-1H-1,2,3-triazole | 913646-63-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 1-(benzyl)-4-(4-methoxyphenyl)-1H-1,2,3-triazole
• 英文别名: 4-benzyl-1-(4-methoxyphenyl)-1H-1,2,3-triazole
• CAS: 913646-63-6
• 化学式: C₁₆H₁₅N₃O
• 分子量: 265.315
• InChiKey: ZHKIYWBPXIOASL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.87
• 重原子数：
  20.0
• 可旋转键数：
  4.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  39.94
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为产物：
  描述：

  苄基叠氮 、 4-乙炔基苯甲醚 在 sodium ascorbate 作用下， 以 水 为溶剂， 反应 0.17h， 以43%的产率得到1-(benzyl)-4-(4-methoxyphenyl)-1H-1,2,3-triazole
  参考文献：
  名称：

  Microwave-Assisted Azide-Alkyne Cycloaddition in Water Using a Heterogeneous Cu-Catalyst

  摘要：

  Several triazoles have been synthesized. They were obtained by a Cu-catalyzed cycloaddition of azides and alkynes. The reaction takes place in aqueous media under microwave irradiation using a copper catalyst based on porous glass. The products have been characterized by infrared, gas chromatography-mass spectrometry, H-1 NMR, and C-13 NMR in addition to melting=point determination. Furthermore the in situ building of some azides and alkynes and the influence of the used metal species was investigated.

  DOI：

  10.1080/00397911.2013.850511

文献信息

• A Facile One-Pot Metal-Free Synthesis of 1,4-Disubstituted 1,2,3-Triazoles
  作者：Qianfa Jia、Gongming Yang、Lei Chen、Zhiyun Du、Jia Wei、Yanqiong Zhong、Jian Wang

  DOI：10.1002/ejoc.201500360

  日期：2015.6

  A 1,3-dipolar cycloaddition reaction of commercially available aldehydes with azides and secondary amines through a one-pot strategy has been developed. This method furnishes 1,4-disubstituted 1,2,3-triazoles in good to excellent yields and high levels of regioselectivity.

  已开发出市售醛与叠氮化物和仲胺通过一锅法进行的 1,3-偶极环加成反应。该方法以良好到极好的收率和高水平的区域选择性提供 1,4-二取代的 1,2,3-三唑。