N-p-tolyl-thiophene-2-carboxamidoxime | 22353-78-2

• 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: N-p-tolyl-thiophene-2-carboxamidoxime
• 英文别名: 4'-Methyl-2-thienanilide oxime；N-hydroxy-N'-(4-methylphenyl)thiophene-2-carboximidamide
• CAS: 22353-78-2
• 化学式: C₁₂H₁₂N₂OS
• 分子量: 232.306
• InChiKey: RIFGHSGQFSJYMW-UHFFFAOYSA-N

物化性质

• 沸点：
  406.1±47.0 °C(Predicted)
• 密度：
  1.22±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  72.9
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  N-p-tolyl-thiophene-2-carboxamidoxime 、 氯甲酸乙酯 在 三乙胺 作用下， 以 xylene 为溶剂， 反应 3.0h， 以50%的产率得到3-(2-thienyl)-4-p-tolyl-1,2,4-oxadiazol-5(4H)-one
  参考文献：
  名称：

  Thiophene-Substituted 1,2,4-Oxadiazoles and Oxadiazines

  摘要：

  Twenty one new thiophene-substituted 1,2,4-oxadiazo1-5(4H)-ones, 1,2,4-oxadiazol. 5(4H)-thiones, and 1,2,4-oxadiazin-5(6H)-ones were synthesized by the reaction of thiophene-ring substituted amidoximes with ethyl chloroformate, thiophosgene, and chloroacetylchloride, respectively. Their structure elucidation was performed by means of spectral measurements (IR, NMR, and MS) and physical data.

  DOI：

  10.1080/10426500600919124

文献信息

• Synthesis of new thiophene, furan and pyridine substituted 1,2,4,5-oxadiazaboroles
  作者：Yaşar Dürüst、Muharrem Akcan、Olli Martiskainen、Elina Siirola、Kalevi Pihlaja

  DOI：10.1016/j.poly.2007.11.043

  日期：2008.2

  Abstract Twenty-two new 3,4,5-trisubstituted 1,2,4,5-oxadiazaboroles were prepared by the cyclocondensation reaction of N-substituted thiophene, furan and pyridine carboxamidoximes with phenylboronic acid in refluxing toluene in good yields. The structures of the new oxadiazaboroles were elucidated by means of spectral measurements (IR, 1H, 13C, 11B NMR, MS, X-ray) and physical data (melting points

  摘要通过N-取代噻吩，呋喃和吡啶羧酰胺肟与苯基硼酸在回流甲苯中的缩合反应，制得了22个新的3,4,5-三取代的1,2,4,5-恶二氮杂硼烷。通过光谱测量（IR，1H，13C，11B NMR，MS，X射线）和物理数据（熔点，HRMS的元素组成）阐明了新的二氮杂硼硼烷的结构。
• Thiophene-Substituted 1,2,4-Oxadiazoles and Oxadiazines
  作者：Yaşar Dürüst、Cevher Altuğ、Ferdi Kiliç

  DOI：10.1080/10426500600919124

  日期：2007.1.1

  Twenty one new thiophene-substituted 1,2,4-oxadiazo1-5(4H)-ones, 1,2,4-oxadiazol. 5(4H)-thiones, and 1,2,4-oxadiazin-5(6H)-ones were synthesized by the reaction of thiophene-ring substituted amidoximes with ethyl chloroformate, thiophosgene, and chloroacetylchloride, respectively. Their structure elucidation was performed by means of spectral measurements (IR, NMR, and MS) and physical data.

表征谱图