2-chloro-N-[5-[(3-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]acetamide | 1018474-90-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 2-chloro-N-[5-[(3-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]acetamide
• CAS: 1018474-90-2
• 化学式: C₁₂H₁₂ClN₃O₂S
• 分子量: 297.765
• InChiKey: OFKAOVGOPDFBLX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  19
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  92.4
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  硫氰酸铵 、 2-chloro-N-[5-[(3-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]acetamide 以 N,N-二甲基甲酰胺 为溶剂， 反应 0.08h， 以88%的产率得到(2E)-2-[[5-[(3-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]imino]-1,3-thiazolidin-4-one
  参考文献：
  名称：

  Synthesis of 2‐(5‐Substituted‐1,3,4‐thiadiazolo‐2‐ylimino)‐4‐thiazolidinones under Microwave Irradiation

  摘要：

  Fifteen 2-(5-substituted-1,3,4-thiadiazolo-2-ylimino)-4-thiazolidinones were efficiently synthesized from the reaction of ammonium thiocyanate with 2-chloro-N-(5-substutited-1,3,4-thiadiazolo-2-yl)acetamides under microwave irradiation. The target compounds were obtained in better yields (75-98%) and shorter time (5min) than with conventional heating.

  DOI：

  10.1080/00397910701845852
• 作为产物：
  描述：

  氯乙酰氯 、 5-[(3-methylphenoxy)methyl]-1,3,4-thiadiazol-2-amine 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 4.0h， 以85%的产率得到2-chloro-N-[5-[(3-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]acetamide
  参考文献：
  名称：

  Synthesis of 2‐(5‐Substituted‐1,3,4‐thiadiazolo‐2‐ylimino)‐4‐thiazolidinones under Microwave Irradiation

  摘要：

  Fifteen 2-(5-substituted-1,3,4-thiadiazolo-2-ylimino)-4-thiazolidinones were efficiently synthesized from the reaction of ammonium thiocyanate with 2-chloro-N-(5-substutited-1,3,4-thiadiazolo-2-yl)acetamides under microwave irradiation. The target compounds were obtained in better yields (75-98%) and shorter time (5min) than with conventional heating.

  DOI：

  10.1080/00397910701845852

文献信息

• Synthesis of 2‐(5‐Substituted‐1,3,4‐thiadiazolo‐2‐ylimino)‐4‐thiazolidinones under Microwave Irradiation
  作者：Xi-Cun Wang、Guo-Li Huang、Zheng-Jun Quan、Cheng-Wei Lv、Wen-Long Yang

  DOI：10.1080/00397910701845852

  日期：2008.2.1

  Fifteen 2-(5-substituted-1,3,4-thiadiazolo-2-ylimino)-4-thiazolidinones were efficiently synthesized from the reaction of ammonium thiocyanate with 2-chloro-N-(5-substutited-1,3,4-thiadiazolo-2-yl)acetamides under microwave irradiation. The target compounds were obtained in better yields (75-98%) and shorter time (5min) than with conventional heating.