2-[4-(3,5-Diphenyl-4,5-dihydro-pyrazol-1-yl)-phenyl]-2,3-dihydro-benzothiazole | 873315-96-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻唑类
• 英文名称: 2-[4-(3,5-Diphenyl-4,5-dihydro-pyrazol-1-yl)-phenyl]-2,3-dihydro-benzothiazole
• CAS: 873315-96-9
• 化学式: C₂₈H₂₃N₃S
• 分子量: 433.577
• InChiKey: WVFPUUOBQZRXEX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.26
• 重原子数：
  32.0
• 可旋转键数：
  4.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  27.63
• 氢给体数：
  1.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  锌 、 2-[4-(3,5-Diphenyl-4,5-dihydro-pyrazol-1-yl)-phenyl]-2,3-dihydro-benzothiazole 在 Pt electrode 、 Et₄NClO₄ 作用下， 以 甲醇 为溶剂， 以80%的产率得到
  参考文献：
  名称：

  Complex Compounds of Azomethines with an MN₂S₂Five-membered Coordination Unit: Metal Chelates of 2-{[4-(3,5-Diphenyl-4,5-dihydropyrazol-1-yl)benzylidene]amino}benzenethiol

  摘要：

  Chelate complexes of 2-{[4-(3,5-diphenyl-4,5-dihydropyrazol-1-yl)benzylidene]amino}benzenethiol (LH) of the ML2 composition and with an M2N2S2 five-membered coordination unit were obtained. The syntheses were carried out by chemical (from LH and metal acetates) and electrochemical (from LH and zero-valent metals) methods in methanol. The chelate compounds were assigned cis-planar (M = Ni) and tetrahedral (M = Co, Zn, Cd) configurations.

  DOI：

  10.1023/b:rugc.0000039093.42205.e6
• 作为产物：
  描述：

  2-氨基苯硫醇 、 4-(3,5-二苯基-4,5-二氢-1-吡咯)-苯甲醛 以 甲醇 为溶剂， 反应 1.0h， 以75%的产率得到2-[4-(3,5-Diphenyl-4,5-dihydro-pyrazol-1-yl)-phenyl]-2,3-dihydro-benzothiazole
  参考文献：
  名称：

  Complex Compounds of Azomethines with an MN₂S₂Five-membered Coordination Unit: Metal Chelates of 2-{[4-(3,5-Diphenyl-4,5-dihydropyrazol-1-yl)benzylidene]amino}benzenethiol

  摘要：

  Chelate complexes of 2-{[4-(3,5-diphenyl-4,5-dihydropyrazol-1-yl)benzylidene]amino}benzenethiol (LH) of the ML2 composition and with an M2N2S2 five-membered coordination unit were obtained. The syntheses were carried out by chemical (from LH and metal acetates) and electrochemical (from LH and zero-valent metals) methods in methanol. The chelate compounds were assigned cis-planar (M = Ni) and tetrahedral (M = Co, Zn, Cd) configurations.

  DOI：

  10.1023/b:rugc.0000039093.42205.e6