1-(4-nitrophenyloxyacetyl)-4-(4-methoxylbenzoyl)-thiosemicarbazide

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 1-(4-nitrophenyloxyacetyl)-4-(4-methoxylbenzoyl)-thiosemicarbazide
• 英文别名: 4-methoxy-N-[[[2-(4-nitrophenoxy)acetyl]amino]carbamothioyl]benzamide
• 化学式: C₁₇H₁₆N₄O₆S
• 分子量: 404.403
• InChiKey: AACNVUZAUZTWIN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  28
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  167
• 氢给体数：
  3
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  1-(4-nitrophenyloxyacetyl)-4-(4-methoxylbenzoyl)-thiosemicarbazide 在 溶剂黄146 作用下， 反应 0.08h， 以89%的产率得到2-(4-methoxylbenzoylamido)-5-(4-nitrophenyloxymethyl)-1,3,4-thiadiazole
  参考文献：
  名称：

  Microwave Assisted Synthesis of 2-(4-Methoxylbenzoylamido)-5-Aryloxymethyl-1,3,4-Thiadiazoles

  摘要：

  4-Methoxylbenzoyl chloride reacting with ammonium thiocyanate and aryloxyacetic acid hydrazides under phase transfer catalysis at room temperature gives 1-aryloxyacetyl-4-(4-methoxylbenzoyl)-thiosemicarbazides (Ia-m). Compounds Ia-m together with glacial acetic acid on exposure to microwave irradiation lead to the formation of 2-(4-methoxylbenzoylamido)-5-aryloxymethyl-1,3,4-thiadiazoles (IIa-m) in excellent yields.

  DOI：

  10.1080/00397910008086957
• 作为产物：
  描述：

  对甲氧基苯甲酰氯 、 硫氰酸铵 、 4-硝基苯氧基乙酸肼 在 polyethylene glycol-400 作用下， 以 二氯甲烷 为溶剂， 反应 1.5h， 以92%的产率得到1-(4-nitrophenyloxyacetyl)-4-(4-methoxylbenzoyl)-thiosemicarbazide
  参考文献：
  名称：

  Microwave Assisted Synthesis of 2-(4-Methoxylbenzoylamido)-5-Aryloxymethyl-1,3,4-Thiadiazoles

  摘要：

  4-Methoxylbenzoyl chloride reacting with ammonium thiocyanate and aryloxyacetic acid hydrazides under phase transfer catalysis at room temperature gives 1-aryloxyacetyl-4-(4-methoxylbenzoyl)-thiosemicarbazides (Ia-m). Compounds Ia-m together with glacial acetic acid on exposure to microwave irradiation lead to the formation of 2-(4-methoxylbenzoylamido)-5-aryloxymethyl-1,3,4-thiadiazoles (IIa-m) in excellent yields.

  DOI：

  10.1080/00397910008086957

文献信息

• Microwave Assisted Synthesis of 2-(4-Methoxylbenzoylamido)-5-Aryloxymethyl-1,3,4-Thiadiazoles
  作者：Li、Wang、Da

  DOI：10.1080/00397910008086957

  日期：2000.11

  4-Methoxylbenzoyl chloride reacting with ammonium thiocyanate and aryloxyacetic acid hydrazides under phase transfer catalysis at room temperature gives 1-aryloxyacetyl-4-(4-methoxylbenzoyl)-thiosemicarbazides (Ia-m). Compounds Ia-m together with glacial acetic acid on exposure to microwave irradiation lead to the formation of 2-(4-methoxylbenzoylamido)-5-aryloxymethyl-1,3,4-thiadiazoles (IIa-m) in excellent yields.