2,2-dimethyl-N-phenyl-6-phenylimino-3,6-dihydro-2H-thiopyran-4-amine | 86796-01-2

• 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: 2,2-dimethyl-N-phenyl-6-phenylimino-3,6-dihydro-2H-thiopyran-4-amine
• 英文别名: 2,2-dimethyl-N-phenyl-6-phenylimino-3H-thiopyran-4-amine
• CAS: 86796-01-2
• 化学式: C₁₉H₂₀N₂S
• 分子量: 308.447
• InChiKey: QTTIYHVOGGDRHF-UHFFFAOYSA-N

物化性质

• 熔点：
  168 °C(Solv: ethanol (64-17-5); water (7732-18-5))
• 沸点：
  425.9±45.0 °C(Predicted)
• 密度：
  1.09±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  22
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  49.7
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2,2-dimethyl-N-phenyl-6-phenylimino-3,6-dihydro-2H-thiopyran-4-amine 生成 4-anilino-6,6-dimethyl-1-phenyl-5,6-dihydropyridine-2(1H)-thione
  参考文献：
  名称：

  Antimycobacterial and H1-antihistaminic activity of 2-substituted piperidine derivatives

  摘要：

  2-Substituted derivatives of the antihistaminic agents Bamipine, Diphenylpyraline and of their 1-phenyl analogues were tested for their antimycobacterial and H(1)-antagonistic activities. They are strong H(1)-receptor antagonists and also inhibit the growth of mycobacterials with a maximum MIC of 6.25 mu g/mL against Mycobacterium tuberculosis H(37)Rv. H(1)-receptor antagonistic potency was slightly decreased by substitution in ring position 2 and distinctly diminished by N-aryl substitution. The antimycobacterial potency of Diphenylpyraline was in general increased by substitution in ring position 2, whereas only a few Bamipine derivatives showed markedly improved activity. A correlation between the two activities was not detected for those compounds. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2008.10.042
• 作为产物：
  描述：

  (2,2-dimethyl-6-methylsulfanyl-3H-thiopyran-4-ylidene)-dimethylazanium;iodide 、 苯胺 反应 4.0h， 以0.3 g的产率得到2,2-dimethyl-N-phenyl-6-phenylimino-3,6-dihydro-2H-thiopyran-4-amine
  参考文献：
  名称：

  Synthese von 1-substituierten 4-Amino-2(1H)-pyridinthionen durchDimroth-Umlagerung aus 2,4-Diaminothiopyranyliumhalogeniden

  摘要：

  DOI：

  10.1007/bf00798613