5-(3-Methyl-4-nitrophenyl)-1,3,4-thiadiazol-2-amine | 383130-95-8

• 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: 5-(3-Methyl-4-nitrophenyl)-1,3,4-thiadiazol-2-amine
• CAS: 383130-95-8
• 化学式: C₉H₈N₄O₂S
• mdl: MFCD02032697
• 分子量: 236.254
• InChiKey: SMCXICRSFWNKCF-UHFFFAOYSA-N

物化性质

• 沸点：
  460.4±55.0 °C(Predicted)
• 密度：
  1.467±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  16
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.111
• 拓扑面积：
  126
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  5-(3-Methyl-4-nitrophenyl)-1,3,4-thiadiazol-2-amine 以 甲苯 为溶剂， 反应 0.17h， 生成 N-[(4-chlorophenyl)-diethoxyphosphorylmethyl]-5-(3-methyl-4-nitrophenyl)-1,3,4-thiadiazol-2-amine
  参考文献：
  名称：

  Microwave-Assisted Synthesis of Propesticides 1,3,4-Thiadiazole Aminophosphonates

  摘要：

  [image omitted] A novel and easy synthetic route to diethyl (5-substituted phenyl-1,3,4-thiadiazol-2-ylamino) (substituted phenyl) methylphosphonates has been achieved by the reaction of substituted benzylidene-5-(substituted phenyl)-1,3,4-thiadiazol-2-amines and diethyl phosphite under microwave irradiation. These 1,3,4-thiadiazole aminophosphonates were identified by infrared, 1H NMR, and elemental analyses. The target compounds were obtained in better yields (71-89%) and shorter time (10min) than with conventional heating.

  DOI：

  10.1080/00397911003707030
• 作为产物：
  描述：

  3-甲基-4-硝基苯甲酸 、 氨基硫脲 在 三氯氧磷 、 sodium hydroxide 作用下， 以 水 为溶剂， 生成 5-(3-Methyl-4-nitrophenyl)-1,3,4-thiadiazol-2-amine
  参考文献：
  名称：

  Microwave-Assisted Synthesis of Propesticides 1,3,4-Thiadiazole Aminophosphonates

  摘要：

  [image omitted] A novel and easy synthetic route to diethyl (5-substituted phenyl-1,3,4-thiadiazol-2-ylamino) (substituted phenyl) methylphosphonates has been achieved by the reaction of substituted benzylidene-5-(substituted phenyl)-1,3,4-thiadiazol-2-amines and diethyl phosphite under microwave irradiation. These 1,3,4-thiadiazole aminophosphonates were identified by infrared, 1H NMR, and elemental analyses. The target compounds were obtained in better yields (71-89%) and shorter time (10min) than with conventional heating.

  DOI：

  10.1080/00397911003707030

文献信息

• Microwave-Assisted Synthesis of Propesticides 1,3,4-Thiadiazole Aminophosphonates
  作者：Rong Wan、Peng Wang、Fen Han、Yao Wang、Jianqiang Zhang

  DOI：10.1080/00397911003707030

  日期：2011.2.28

  [image omitted] A novel and easy synthetic route to diethyl (5-substituted phenyl-1,3,4-thiadiazol-2-ylamino) (substituted phenyl) methylphosphonates has been achieved by the reaction of substituted benzylidene-5-(substituted phenyl)-1,3,4-thiadiazol-2-amines and diethyl phosphite under microwave irradiation. These 1,3,4-thiadiazole aminophosphonates were identified by infrared, 1H NMR, and elemental analyses. The target compounds were obtained in better yields (71-89%) and shorter time (10min) than with conventional heating.