2,6-Dimethyl-4-(pyrrol-1-ylimino)-cyclohexa-2,5-dienone | 55872-74-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: 2,6-Dimethyl-4-(pyrrol-1-ylimino)-cyclohexa-2,5-dienone
• 英文别名: 2,6-Dimethyl-4-pyrrol-1-yliminocyclohexa-2,5-dien-1-one
• CAS: 55872-74-7
• 化学式: C₁₂H₁₂N₂O
• 分子量: 200.24
• InChiKey: WHGZXJFSMUYJBQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  15
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  34.4
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  1-氨基吡咯 、 2,6-二甲基-2,5-环己二烯-1,4-二酮 在 盐酸 作用下， 以 水 为溶剂， 反应 0.25h， 以80%的产率得到2,6-Dimethyl-4-(pyrrol-1-ylimino)-cyclohexa-2,5-dienone
  参考文献：
  名称：

  Synthesis and antibacterial activity of 1-(arylamino)-1H-pyrroles and 4-(1H-pyrrol-1-ylimino)-2,5-cyclohexadienes

  摘要：

  The syntheses of 1-(arylamino)-1H-pyrroles and 4-(1H-pyrrol-1-ylimino)-2-5-cyclohexadienes are described. Several of these compounds express in vitro antibacterial activity or can be metabolized to show in vitro antibacterial activity, and a few examples have shown efficacy against tuberculosis in mice. One compound, N,N'-(2,5-cyclohexadiene-1,4-diylidene)bis-1H-pyrrol-1-amine, is completely effective at 6.25 mg/kg against Mycobacterium tuberculosis H37Rv.

  DOI：

  10.1021/jm00143a011

文献信息

• JOHNSON, R. E.;SORIA, A. E.;O CONNOR, J. R.;DOBSON, R. A., J. MED. CHEM., 1981, 24, N 11, 1314-1319
  作者：JOHNSON, R. E.、SORIA, A. E.、O CONNOR, J. R.、DOBSON, R. A.

  DOI：——

  日期：——
• Synthesis and antibacterial activity of 1-(arylamino)-1H-pyrroles and 4-(1H-pyrrol-1-ylimino)-2,5-cyclohexadienes
  作者：Robert E. Johnson、Albert E. Soria、John R. O'Connor、Richard A. Dobson

  DOI：10.1021/jm00143a011

  日期：1981.11

  The syntheses of 1-(arylamino)-1H-pyrroles and 4-(1H-pyrrol-1-ylimino)-2-5-cyclohexadienes are described. Several of these compounds express in vitro antibacterial activity or can be metabolized to show in vitro antibacterial activity, and a few examples have shown efficacy against tuberculosis in mice. One compound, N,N'-(2,5-cyclohexadiene-1,4-diylidene)bis-1H-pyrrol-1-amine, is completely effective at 6.25 mg/kg against Mycobacterium tuberculosis H37Rv.