mesoionic 5-[2-iminophenylo-2'-amino]anilino-3-phenyl-1,2,3,4-thiatriazole | 275367-74-3

• 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: mesoionic 5-[2-iminophenylo-2'-amino]anilino-3-phenyl-1,2,3,4-thiatriazole
• CAS: 275367-74-3
• 化学式: C₁₉H₁₆N₆S
• 分子量: 360.442
• InChiKey: HUCAQEGNFSGCLK-UHFFFAOYSA-O

计算性质

• 辛醇/水分配系数(LogP)：
  4.48
• 重原子数：
  26.0
• 可旋转键数：
  5.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  81.81
• 氢给体数：
  2.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  mesoionic 5-[2-iminophenylo-2'-amino]anilino-3-phenyl-1,2,3,4-thiatriazole 、 copper(II) acetate monohydrate 以 乙腈 为溶剂， 生成 copper(II) salt of mesoionic 5-[2-iminophenylo-2'-amino]anilino-3-phenyl-1,2,3,4-thiatriazole
  参考文献：
  名称：

  Synthesis of some ligands containing 1,2,3,4-thiatriazolium-5-aminide unit and their interactions with metal cations

  摘要：

  Five new compounds, 6-10, derivatives of mesoionic 3-phenylo-1,2,3,4-thiatriazolium-5-aminide, have been obtained. The structures of the compounds have been investigated by H-1, C-13, N-15 NMR and X-ray diffraction. The N-15 NMR technique has been used for identification of a heteroatomic backbone of the mesoionic unit. The N-15 chemical shifts observed are typical for this class of compounds. However, some unusual N-15 Shift values have been observed for 9.The structures of compounds 2 and 7-9 have been confirmed by X-ray diffraction. The interactions of the thiatriazoles 6-9 with some salts, CoCl2, Ni(ClO4)(2) and Cu(CH3COO)(2) in acetonitrile solution, have been studied by visible electronic spectroscopy. (C) 2000 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s0022-2860(99)00446-9
• 作为产物：
  描述：

  双(2-氨基苯基)胺 、 3-phenyl-1,2,3,4-thiatriazolium-5-ethoxylate tetrafluoroborate 在 三乙胺 作用下， 以 乙腈 为溶剂， 反应 0.5h， 以8%的产率得到mesoionic 5-[2-iminophenylo-2'-amino]anilino-3-phenyl-1,2,3,4-thiatriazole
  参考文献：
  名称：

  Synthesis of some ligands containing 1,2,3,4-thiatriazolium-5-aminide unit and their interactions with metal cations

  摘要：

  Five new compounds, 6-10, derivatives of mesoionic 3-phenylo-1,2,3,4-thiatriazolium-5-aminide, have been obtained. The structures of the compounds have been investigated by H-1, C-13, N-15 NMR and X-ray diffraction. The N-15 NMR technique has been used for identification of a heteroatomic backbone of the mesoionic unit. The N-15 chemical shifts observed are typical for this class of compounds. However, some unusual N-15 Shift values have been observed for 9.The structures of compounds 2 and 7-9 have been confirmed by X-ray diffraction. The interactions of the thiatriazoles 6-9 with some salts, CoCl2, Ni(ClO4)(2) and Cu(CH3COO)(2) in acetonitrile solution, have been studied by visible electronic spectroscopy. (C) 2000 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s0022-2860(99)00446-9