2-methyl-5-naphthalen-1-yl-1-phenylpyrrole | 771570-71-9

• 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-methyl-5-naphthalen-1-yl-1-phenylpyrrole
• CAS: 771570-71-9
• 化学式: C₂₁H₁₇N
• 分子量: 283.373
• InChiKey: FXKJJKVZKQIBOD-UHFFFAOYSA-N

物化性质

• 沸点：
  445.0±14.0 °C(Predicted)
• 密度：
  1.06±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.61
• 重原子数：
  22.0
• 可旋转键数：
  2.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.05
• 拓扑面积：
  4.93
• 氢给体数：
  0.0
• 氢受体数：
  1.0

反应信息

• 作为反应物：
  描述：

  2-methyl-5-naphthalen-1-yl-1-phenylpyrrole 、 硫代吗啉 、 聚合甲醛 在 溶剂黄146 作用下， 以 水 、 乙腈 为溶剂， 反应 3.0h， 以98%的产率得到4-[[2-Methyl-5-(1-naphthyl)-1-phenyl-pyrrol-3-yl]methyl]thiomorpholine
  参考文献：
  名称：

  Antimycobacterial compounds. New pyrrole derivatives of BM212

  摘要：

  We have identified BM212 as a lead compound among a series of pyrrole derivatives with good in vitro activity against mycobacteria and candidae. First studies led us to synthesize some pyrrole compounds in which the thiomorpholine fragment was present. Some compounds revealed very active and these findings prompted us to prepare new pyrrole derivatives 2-15 in the hope of increasing the activity. The microbiological data showed interesting in vitro activity against Mycobacterium tuberculosis and atypical mycobacteria. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2003.12.037
• 作为产物：
  描述：

  1-naphthalen-1-yl-pentane-1,4-dione 、 苯胺 生成 2-methyl-5-naphthalen-1-yl-1-phenylpyrrole
  参考文献：
  名称：

  Antimycobacterial compounds. New pyrrole derivatives of BM212

  摘要：

  We have identified BM212 as a lead compound among a series of pyrrole derivatives with good in vitro activity against mycobacteria and candidae. First studies led us to synthesize some pyrrole compounds in which the thiomorpholine fragment was present. Some compounds revealed very active and these findings prompted us to prepare new pyrrole derivatives 2-15 in the hope of increasing the activity. The microbiological data showed interesting in vitro activity against Mycobacterium tuberculosis and atypical mycobacteria. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2003.12.037