1-(2,4-Dimethylphenyl)-6-methoxybenzotriazole | 1295605-94-5

• 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-(2,4-Dimethylphenyl)-6-methoxybenzotriazole
• 英文别名: 1-(2,4-dimethylphenyl)-6-methoxybenzotriazole
• CAS: 1295605-94-5
• 化学式: C₁₅H₁₅N₃O
• 分子量: 253.304
• InChiKey: RUHIGCGBKLCGES-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  19
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  39.9
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  4-甲氧基苯基氨基甲酸乙酯 在 盐酸 、 lithium aluminium tetrahydride 、 1,3-双(二苯基膦)丙烷 、 potassium acetate 、 palladium diacetate 作用下， 以 乙醚 、 N,N-二甲基甲酰胺 、 乙腈 为溶剂， 反应 13.25h， 生成 1-(2,4-Dimethylphenyl)-6-methoxybenzotriazole
  参考文献：
  名称：

  1,7-Palladium Migration via C−H Activation, Followed by Intramolecular Amination: Regioselective Synthesis of Benzotriazoles

  摘要：

  A novel 1,7-palladium migration-cyclization-dealkylation sequence for the regioselective synthesis of benzotriazoles has been developed. These reactions proceed in excellent yields with high regioselectivities. The mechanism of the reaction has also been investigated.

  DOI：

  10.1021/ja2007438

文献信息

• 1,7-Palladium Migration via C−H Activation, Followed by Intramolecular Amination: Regioselective Synthesis of Benzotriazoles
  作者：Jun Zhou、Jianjun He、Binjie Wang、Weijun Yang、Hongjun Ren

  DOI：10.1021/ja2007438

  日期：2011.5.11

  A novel 1,7-palladium migration-cyclization-dealkylation sequence for the regioselective synthesis of benzotriazoles has been developed. These reactions proceed in excellent yields with high regioselectivities. The mechanism of the reaction has also been investigated.