3-(4-chlorophenyl)-1,5-dimethyl-1H-1,2,4-triazole | 1440038-38-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 3-(4-chlorophenyl)-1,5-dimethyl-1H-1,2,4-triazole
• 英文别名: 3-(4-Chlorophenyl)-1,5-dimethyl-1,2,4-triazole；3-(4-chlorophenyl)-1,5-dimethyl-1,2,4-triazole
• CAS: 1440038-38-9
• 化学式: C₁₀H₁₀ClN₃
• 分子量: 207.662
• InChiKey: HHZXBXVXHACRAY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  30.7
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  N,N-二甲基甲酰胺二甲基缩醛 、 3-(4-chlorophenyl)-5-methyl-4H-1,2,4-triazole 以 N,N-二甲基甲酰胺 为溶剂， 反应 18.0h， 以62%的产率得到3-(4-chlorophenyl)-1,5-dimethyl-1H-1,2,4-triazole
  参考文献：
  名称：

  Selective Methylation of NH-Containing Heterocycles and Sulfonamides Using N,N-Dimethylformamide Dimethylacetal Based on Calculated pKa Measurements

  摘要：

  The use of N,N-dimethylformamide dimethylacetal (DMF-DMA) as a suitable methylating agent for the methylation of NH-containing groups and heterocycles has been investigated. Use of ReactArray and calculated pK(a) measurements have allowed additional helpful information to be collated to determine optimum reaction conditions for a variety of substrates.

  DOI：

  10.1055/s-0032-1318315

文献信息

• Synthesis of multi-substituted 1,2,4-triazoles utilising the ambiphilic reactivity of hydrazones
  作者：Haruo Matsuzaki、Norihiko Takeda、Motohiro Yasui、Mayuko Okazaki、Seishin Suzuki、Masafumi Ueda

  DOI：10.1039/d1cc05326d

  日期：——

  The synthesis of N-alkyl-1H-1,2,4-triazoles from N,N-dialkylhydrazones and nitriles via formal [3+2] cycloaddition including the C-chlorination/nucleophilic addition/cyclisation/dealkylation sequence was developed. This sequential reaction utilising the in situ generation of hydrazonoyl chloride based on the ambiphilic reactivity of hydrazones afforded a variety of multi-substituted N-alkyl-triazoles

  合成ñ -烷基-1 ħ从-1,2,4-三唑Ñ，Ñ -dialkylhydrazones和腈经由正式[3 + 2]环加成，包括Ç -chlorination /亲核加成/环化/脱烷基化序列被开发。这种基于腙的双亲反应性原位生成腙酰氯的连续反应以高产率提供了多种多取代的N-烷基-三唑。多取代三唑的合成效用也通过进一步的转化得到了证明。