3-methyl-4-(2-methoxy-5-pyridyl)-5-tribromomethyl-1,2,4-triazole | 1178972-94-5

• 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-methyl-4-(2-methoxy-5-pyridyl)-5-tribromomethyl-1,2,4-triazole
• 英文别名: 2-Methoxy-5-[3-methyl-5-(tribromomethyl)-1,2,4-triazol-4-yl]pyridine
• CAS: 1178972-94-5
• 化学式: C₁₀H₉Br₃N₄O
• 分子量: 440.92
• InChiKey: BXLGSGGCPLPYDD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  52.8
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  3-methyl-4-(2-methoxy-5-pyridyl)-5-tribromomethyl-1,2,4-triazole 、 (R)-2-苯基-1-丙胺 在 N,N-二异丙基乙胺 、 水 作用下， 以 乙腈 、 乙酸乙酯 为溶剂， 以53%的产率得到4-(6-methoxypyridin-3-yl)-5-methyl-N-[(2R)-2-phenylpropyl]-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-methyl-5-tribromomethyl-1,3,4-oxadiazole 在 溶剂黄146 作用下， 以44%的产率得到3-methyl-4-(2-methoxy-5-pyridyl)-5-tribromomethyl-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.