6-[(2-Chlorophenoxy)methyl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazole | 896838-96-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 6-[(2-Chlorophenoxy)methyl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
• 英文别名: 6-[(2-chlorophenoxy)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
• CAS: 896838-96-3
• 化学式: C₁₀H₇ClN₄OS
• 分子量: 266.711
• InChiKey: NKPQJDWDPAHSHT-UHFFFAOYSA-N

物化性质

• 熔点：
  130-132 °C(Solv: ethanol (64-17-5))
• 密度：
  1.63±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  80.6
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  2-Amino-5-(2-chlorophenoxymethyl)-1,3,4-thiadiazole 在 盐酸 、 铜 、 一水合肼 、 sodium nitrite 作用下， 以 乙醇 为溶剂， 反应 5.0h， 生成 6-[(2-Chlorophenoxy)methyl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
  参考文献：
  名称：

  Utilization of 2-Halo-1,3,4-thiadiazoles in the Synthesis of 2-Functionalized 1,3,4-Thiadiazole Derivatives

  摘要：

  Novel 2-bromo/iodo-5-aryloxymethy1-1,3,4-thiadiazoles were prepared by the diazotization of 2-amino-1,3,4-thiadiazoles using p-TsOH as acid under the copper-free conditions. 2-Chloro-5-aryloxymethyl-1,3,4-thiadiazoles, which were prepared by traditional diazotization, were treated with various nucleophiles to give a series of 2-substituted-1,3,4-thiadiazole derivatives including 2-methylamino/ethylamino/hydroxylethylamino/ hydrazinyl-5-aryloxymethyl-1,3,4-thiadizoles and 6-aryloxymethyl[1,2,4]-triazolo[3,4-b][1,3,4]thiadiazoles.

  DOI：

  10.3987/com-11-12288

文献信息

• Utilization of 2-Halo-1,3,4-thiadiazoles in the Synthesis of 2-Functionalized 1,3,4-Thiadiazole Derivatives
  作者：Xi-Cun Wang、Jin-Ge Luo、Xiao-Mei Ding、Zheng-Jun Quan

  DOI：10.3987/com-11-12288

  日期：——

  Novel 2-bromo/iodo-5-aryloxymethy1-1,3,4-thiadiazoles were prepared by the diazotization of 2-amino-1,3,4-thiadiazoles using p-TsOH as acid under the copper-free conditions. 2-Chloro-5-aryloxymethyl-1,3,4-thiadiazoles, which were prepared by traditional diazotization, were treated with various nucleophiles to give a series of 2-substituted-1,3,4-thiadiazole derivatives including 2-methylamino/ethylamino/hydroxylethylamino/ hydrazinyl-5-aryloxymethyl-1,3,4-thiadizoles and 6-aryloxymethyl[1,2,4]-triazolo[3,4-b][1,3,4]thiadiazoles.