3-methoxymethyl-4-(2-methoxy-5-pyridyl)-5-trichloromethyl-1,2,4-triazole | 1178972-95-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 3-methoxymethyl-4-(2-methoxy-5-pyridyl)-5-trichloromethyl-1,2,4-triazole
• 英文别名: 2-Methoxy-5-[3-(methoxymethyl)-5-(trichloromethyl)-1,2,4-triazol-4-yl]pyridine
• CAS: 1178972-95-6
• 化学式: C₁₁H₁₁Cl₃N₄O₂
• 分子量: 337.593
• InChiKey: GIFIIWWLOCWONV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  20
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  62.1
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  3-methoxymethyl-4-(2-methoxy-5-pyridyl)-5-trichloromethyl-1,2,4-triazole 、 2-苯氧基乙胺 在 吡啶 、 4-二甲氨基吡啶 、 水 作用下， 以 乙腈 、 乙酸乙酯 为溶剂， 以33%的产率得到5-(methoxymethyl)-4-(6-methoxypyridin-3-yl)-N-(2-phenoxyethyl)-1,2,4-triazole-3-carboxamide
  参考文献：
  名称：

  Alternative Approach to 1,2,4-Triazole-3-carboxamides

  摘要：

  The conversion of trichloromethyl and tribromomethyltriazoles to the corresponding carboxamide derivatives is described. The trihalomethyl analogs are straightforward to make and react readily with a range of amines to produce carboxamides. The strategy avoids the problems of decarboxylation associated with the use of triazole acids.

  DOI：

  10.1080/00397910802661000
• 作为产物：
  描述：

  5-氨基-2-甲氧基吡啶 、 2-methoxymethyl-5-trichloromethyl-1,3,4-oxadiazole 在 溶剂黄146 作用下， 反应 2.0h， 以54%的产率得到3-methoxymethyl-4-(2-methoxy-5-pyridyl)-5-trichloromethyl-1,2,4-triazole
  参考文献：
  名称：

  Alternative Approach to 1,2,4-Triazole-3-carboxamides

  摘要：

  The conversion of trichloromethyl and tribromomethyltriazoles to the corresponding carboxamide derivatives is described. The trihalomethyl analogs are straightforward to make and react readily with a range of amines to produce carboxamides. The strategy avoids the problems of decarboxylation associated with the use of triazole acids.

  DOI：

  10.1080/00397910802661000

文献信息

• Alternative Approach to 1,2,4-Triazole-3-carboxamides
  作者：David Ellis

  DOI：10.1080/00397910802661000

  日期：2009.6.23

  The conversion of trichloromethyl and tribromomethyltriazoles to the corresponding carboxamide derivatives is described. The trihalomethyl analogs are straightforward to make and react readily with a range of amines to produce carboxamides. The strategy avoids the problems of decarboxylation associated with the use of triazole acids.