1-[[5-(4-氯苯基)-2-甲基-1-苯基吡咯-3-基]甲基]-4-甲基哌嗪 | 146204-44-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 中文名称: 1-[[5-(4-氯苯基)-2-甲基-1-苯基吡咯-3-基]甲基]-4-甲基哌嗪
• 中文别名: 1-{[5-(4-氯苯基)-2-甲基-1-苯基-1H-吡咯-3-基]甲基}-4-甲基哌嗪
• 英文名称: Piperazine, 1-((5-(4-chlorophenyl)-2-methyl-1-phenyl-1H-pyrrol-3-yl)methyl)-4-methyl-
• 英文别名: 1-[[5-(4-chlorophenyl)-2-methyl-1-phenylpyrrol-3-yl]methyl]-4-methylpiperazine
• CAS: 146204-44-6
• 化学式: C₂₃H₂₆ClN₃
• 分子量: 379.933
• InChiKey: SOLADHUNVIQDNM-UHFFFAOYSA-N

物化性质

• 沸点：
  509.3±45.0 °C(Predicted)
• 密度：
  1.15±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  27
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  11.4
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  1-(4-氯苯基)-1,4-戊二酮 在 氢气 作用下， 生成 1-[[5-(4-氯苯基)-2-甲基-1-苯基吡咯-3-基]甲基]-4-甲基哌嗪
  参考文献：
  名称：

  New pyrrole derivatives as antimycobacterial agents analogs of BM212

  摘要：

  During the course of our investigations in the field of azole antimicrobial agents, we have identified BM212 a pyrrole derivative with good in vitro activity against mycobacteria and candidae. These findings prompted us to prepare new pyrrole derivatives 2-6 in the hope of increasing the activity. The microbiological data showed interesting in vitro activity against Mycobacterium tuberculosis and atypical mycobacteria. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(99)00510-7

文献信息

• Studies on anti-Candida agents with a pyrrole moiety. Synthesis and microbiological activity of some 3-aminomethyl-1,5-diaryl-2-methyl-pyrrole derivatives
  作者：F Cerreto、A Villa、A Retico、M Scalzo

  DOI：10.1016/0223-5234(92)90090-n

  日期：1992.10

  The synthesis and anti-Candida activity of some 3-aminomethyl-1,5-diaryl-2-methyl-pyrrole derivatives are reported. Some derivatives show a rather strong anti-Candida activity. On the basis of experimental results, microbiological activity of 1,5-diarylpyrroles appears to be mainly related to aminic nitrogen lone pair availability of C3 substituent of the pyrrole nucleus. The C5 and N1 substituents play an important role in modulating biological activity. Some structure-activity relationships are proposed.
• New pyrrole derivatives as antimycobacterial agents analogs of BM212
  作者：Mariangela Biava、Rossella Fioravanti、Giulio Cesare Porretta、Delia Deidda、Carlo Maullu、Raffaello Pompei

  DOI：10.1016/s0960-894x(99)00510-7

  日期：1999.10

  During the course of our investigations in the field of azole antimicrobial agents, we have identified BM212 a pyrrole derivative with good in vitro activity against mycobacteria and candidae. These findings prompted us to prepare new pyrrole derivatives 2-6 in the hope of increasing the activity. The microbiological data showed interesting in vitro activity against Mycobacterium tuberculosis and atypical mycobacteria. (C) 1999 Elsevier Science Ltd. All rights reserved.