5-[(2-chlorophenoxy)methyl]-N-ethyl-1,3,4-thiadiazol-2-amine | 1345699-77-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 5-[(2-chlorophenoxy)methyl]-N-ethyl-1,3,4-thiadiazol-2-amine
• CAS: 1345699-77-5
• 化学式: C₁₁H₁₂ClN₃OS
• mdl: MFCD22976774
• 分子量: 269.755
• InChiKey: CPUGSBCICHJBFA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  17
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.272
• 拓扑面积：
  75.3
• 氢给体数：
  1
• 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 、 sodium nitrite 作用下， 以 乙醇 为溶剂， 反应 3.0h， 生成 5-[(2-chlorophenoxy)methyl]-N-ethyl-1,3,4-thiadiazol-2-amine
  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.