2-Benzothiazol-2-yl-4-phenyl-2H-pyrazol-3-ylamine | 321742-15-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 2-Benzothiazol-2-yl-4-phenyl-2H-pyrazol-3-ylamine
• 英文别名: 1-(1,3-benzothiazol-2-yl)-4-phenyl-1H-pyrazol-5-amine；2-(1,3-benzothiazol-2-yl)-4-phenylpyrazol-3-amine
• CAS: 321742-15-8
• 化学式: C₁₆H₁₂N₄S
• 分子量: 292.364
• InChiKey: YPSRDXFUKUHGNN-UHFFFAOYSA-N

物化性质

• 熔点：
  220-222 °C(Solv: ethanol (64-17-5))
• 沸点：
  534.4±52.0 °C(Predicted)
• 密度：
  1.40±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  21
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  85
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  2-甲酸基-2-苯基乙腈 、 2-肼基苯并噻唑 以 乙醇 为溶剂， 反应 1.0h， 以78%的产率得到2-Benzothiazol-2-yl-4-phenyl-2H-pyrazol-3-ylamine
  参考文献：
  名称：

  Synthesis and antibacterial activity of some new 1-heteroaryl-5-amino-3H/methyl-4-phenylpyrazoles

  摘要：

  The regioselective synthesis of 1-heteroaryl-5-amino-4-phenylpyrazoles 3a-g and I -heteroaryl-5-amino-3-methyl-4-phenylpyrazoles 3h-n was achieved by the treatment of heteroarylhydrazines la-g with alpha-phenylforniylacetonitrile 2a and alpha-phenylacetylacetonitrile 2b, respectively. The structures of the compounds 3 were established by the combined use of H-1 and C-13 NMR spectroscopy. All the fourteen compounds were tested for their in vitro antibacterial activity against three Gram-positive and two Gram-negative bacteria. Six compounds 3a, 3d, 3e, 3g, 31, and 3n frorn this series were found to be equipotent or more potent than the commercial antibiotics (Linezolid and Cefroxime axetil). (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2005.10.026

文献信息

• Synthesis and antibacterial activity of some new 1-heteroaryl-5-amino-3H/methyl-4-phenylpyrazoles
  作者：Ranjana Aggarwal、Vinod Kumar、Parikshit Tyagi、Shiv P. Singh

  DOI：10.1016/j.bmc.2005.10.026

  日期：2006.3

  The regioselective synthesis of 1-heteroaryl-5-amino-4-phenylpyrazoles 3a-g and I -heteroaryl-5-amino-3-methyl-4-phenylpyrazoles 3h-n was achieved by the treatment of heteroarylhydrazines la-g with alpha-phenylforniylacetonitrile 2a and alpha-phenylacetylacetonitrile 2b, respectively. The structures of the compounds 3 were established by the combined use of H-1 and C-13 NMR spectroscopy. All the fourteen compounds were tested for their in vitro antibacterial activity against three Gram-positive and two Gram-negative bacteria. Six compounds 3a, 3d, 3e, 3g, 31, and 3n frorn this series were found to be equipotent or more potent than the commercial antibiotics (Linezolid and Cefroxime axetil). (c) 2005 Elsevier Ltd. All rights reserved.