2,5-dichloro-3,6-bis(5-methyl-1H-pyrazol-3-ylamino)cyclohexa-2,5-diene-1,4-dione | 1346700-21-7

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2,5-dichloro-3,6-bis(5-methyl-1H-pyrazol-3-ylamino)cyclohexa-2,5-diene-1,4-dione
• 英文别名: 2,5-dichloro-3,6-bis[(5-methyl-1H-pyrazol-3-yl)amino]cyclohexa-2,5-diene-1,4-dione
• CAS: 1346700-21-7
• 化学式: C₁₄H₁₂Cl₂N₆O₂
• 分子量: 367.194
• InChiKey: FDZVCXOKFSSVBW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.33
• 重原子数：
  24.0
• 可旋转键数：
  4.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  115.56
• 氢给体数：
  4.0
• 氢受体数：
  6.0

反应信息

• 作为产物：
  描述：

  3-氨基-5-甲基吡唑 、 四氯苯醌 以 乙醇 为溶剂， 反应 4.0h， 以85%的产率得到2,5-dichloro-3,6-bis(5-methyl-1H-pyrazol-3-ylamino)cyclohexa-2,5-diene-1,4-dione
  参考文献：
  名称：

  Design, Synthesis and Structure of Novel Para-Quinones and their Antibacterial Activity

  摘要：

  Eight new para‐quinones and one known analogue have been synthesized from p‐chloranil. Five have been structurally characterized by single crystal diffraction, and a range of ligand folding is observed. All nine have been tested for their potency towards Gram(+) S. aureus and Gram(−) E. coli. Quinones 3, 6, 7 and 8 have shown activity towards S. aureus and quinones 3 and 8 also show good activity towards E. coli.

  DOI：

  10.1111/j.1747-0285.2011.01187.x

文献信息

• Design, Synthesis and Structure of Novel Para-Quinones and their Antibacterial Activity
  作者：Komala Pandurangan、Kevin D. Murnaghan、Aurora Walshe、Helge Müller-Bunz、Francesca Paradisi、Grace G. Morgan

  DOI：10.1111/j.1747-0285.2011.01187.x

  日期：2011.11

  Eight new para‐quinones and one known analogue have been synthesized from p‐chloranil. Five have been structurally characterized by single crystal diffraction, and a range of ligand folding is observed. All nine have been tested for their potency towards Gram(+) S. aureus and Gram(−) E. coli. Quinones 3, 6, 7 and 8 have shown activity towards S. aureus and quinones 3 and 8 also show good activity towards E. coli.