(5-(4-chlorophenyl)-2-(2,4-dinitrophenyl)-2H-1,2,3-triazol-4-yl)(phenyl)methanone | 1350308-70-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (5-(4-chlorophenyl)-2-(2,4-dinitrophenyl)-2H-1,2,3-triazol-4-yl)(phenyl)methanone
• 英文别名: [5-(4-Chlorophenyl)-2-(2,4-dinitrophenyl)triazol-4-yl]-phenylmethanone
• CAS: 1350308-70-1
• 化学式: C₂₁H₁₂ClN₅O₅
• 分子量: 449.81
• InChiKey: NSABLSGGCXWWMS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.5
• 重原子数：
  32
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  139
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  苯乙酮 在 sodium azide 、 copper(II) oxide 、 sodium hydroxide 作用下， 以 乙醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 35.5h， 生成 (5-(4-chlorophenyl)-2-(2,4-dinitrophenyl)-2H-1,2,3-triazol-4-yl)(phenyl)methanone
  参考文献：
  名称：

  CuO-Promoted Construction of N-2-Aryl-Substituted-1,2,3-Triazoles via Azide-Chalcone Oxidative Cycloaddition and Post-Triazole Arylation

  摘要：

  An efficient one-pot three-component stepwise approach for the synthesis of N-2-aryl-substituted-1,2,3-triazoles has been developed. By using this azide-chalcone oxidative cycloaddition and post-triazole arylation, a series of N-2-aryl-substituted-1,2,3-triazoles are readily prepared under mild conditions in excellent yields and high regioselectivity. Both the catalyst and substrates are readily available.

  DOI：

  10.1021/ol202718d

文献信息

• A binuclear Cu(<scp>i</scp>) complex as a novel catalyst towards the direct synthesis of N-2-aryl-substituted-1,2,3-triazoles from chalcones
  作者：Divya Pratap Singh、Bharat Kumar Allam、Rahul Singh、Krishna Nand Singh、Vinod Prasad Singh

  DOI：10.1039/c5ra27907k

  日期：——

  A binuclear Cu(I) complex containing a N′,N′-bis(1H-indol-3-yl)methylene}oxalohydrazide (H2bioh) ligand has been synthesized and characterized. The molecular structures of the synthesized compounds have been determined by single crystal X-ray diffraction. The crystal structures are stabilized by inter- and intra-molecular π–π stacking and C–H⋯π interactions. The Cu(I)-complex has successfully been

  合成并表征了含有N '，N'-双（1 H-吲哚-3-基）亚甲基}草酰肼（H 2 bioh）配体的双核Cu（I）配合物。合成的化合物的分子结构已经通过单晶X射线衍射确定。分子间和分子内π-π堆积和CH-H⋯π相互作用稳定了晶体结构。铜（我复合物已成功用作涉及叠氮化物-查耳酮点击反应的一锅操作的有效催化剂，并开发了随后的芳基化反应。该配合物表现出优异的催化活性，而催化剂的负载量却大大降低。整个过程对空气和湿气不敏感，可以在环境温度下轻松操作。
• CuO-Promoted Construction of <i>N</i>-2-Aryl-Substituted-1,2,3-Triazoles via Azide-Chalcone Oxidative Cycloaddition and Post-Triazole Arylation
  作者：Yuanqing Zhang、Xiaolong Li、Jihui Li、Jinying Chen、Xu Meng、Mingming Zhao、Baohua Chen

  DOI：10.1021/ol202718d

  日期：2012.1.6

  An efficient one-pot three-component stepwise approach for the synthesis of N-2-aryl-substituted-1,2,3-triazoles has been developed. By using this azide-chalcone oxidative cycloaddition and post-triazole arylation, a series of N-2-aryl-substituted-1,2,3-triazoles are readily prepared under mild conditions in excellent yields and high regioselectivity. Both the catalyst and substrates are readily available.