2-[(4-Chlorophenoxy)methyl]-5-iodo-1,3,4-thiadiazole | 1339189-66-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 2-[(4-Chlorophenoxy)methyl]-5-iodo-1,3,4-thiadiazole
• CAS: 1339189-66-0
• 化学式: C₉H₆ClIN₂OS
• 分子量: 352.583
• InChiKey: YFCJZLFFQSSJMC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  63.2
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  5-[(4-氯苯氧基)甲基]-1,3,4-噻二唑-2-胺 在 对甲苯磺酸 、 potassium iodide 、 sodium nitrite 作用下， 以 乙腈 、 水 为溶剂， 反应 2.5h， 以79%的产率得到2-[(4-Chlorophenoxy)methyl]-5-iodo-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.