1-[N-benzoyl-N-(4-benzyloxy-1-naphthyl)amino]pyrrole | 55872-50-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 1-[N-benzoyl-N-(4-benzyloxy-1-naphthyl)amino]pyrrole
• 英文别名: N-(4-phenylmethoxynaphthalen-1-yl)-N-pyrrol-1-ylbenzamide
• CAS: 55872-50-9
• 化学式: C₂₈H₂₂N₂O₂
• 分子量: 418.495
• InChiKey: DRRHZQHUUSTLEQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.4
• 重原子数：
  32
• 可旋转键数：
  6
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.04
• 拓扑面积：
  34.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-[N-benzoyl-N-(4-benzyloxy-1-naphthyl)amino]pyrrole 在 palladium on activated charcoal 氢氧化钾 、 氢气 、 mercury(II) oxide 作用下， 以 甲醇 、 乙醇 、 苯 为溶剂， 25.0 ℃ 、324.05 kPa 条件下， 反应 1.83h， 生成 4-(1H-pyrrol-1-ylimino)-2,5-cyclohexadien-1-one
  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
• 作为产物：
  描述：

  N-benzoyl-4-benzyloxy-1-naphthylamine 在 氯胺 、 sodium hydride 、 溶剂黄146 作用下， 反应 5.25h， 生成 1-[N-benzoyl-N-(4-benzyloxy-1-naphthyl)amino]pyrrole
  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：——
• US4138405A
  申请人：——

  公开号：US4138405A

  公开（公告）日：1979-02-06
• US4156029A
  申请人：——

  公开号：US4156029A

  公开（公告）日：1979-05-22
• US4163015A
  申请人：——

  公开号：US4163015A

  公开（公告）日：1979-07-31
• 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.