1-(3-Fluorophenyl)pyrrole-3-carbaldehyde | 691862-64-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: 1-(3-Fluorophenyl)pyrrole-3-carbaldehyde
• CAS: 691862-64-3
• 化学式: C₁₁H₈FNO
• 分子量: 189.189
• InChiKey: UGHOIHIWMZSGKD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  22
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-(3-Fluorophenyl)pyrrole-3-carbaldehyde 在 sodium hydroxide 、 silver nitrate 作用下， 以 甲醇 为溶剂， 反应 5.0h， 生成 1-(3-fluorophenyl)pyrrole-3-carboxylic acid
  参考文献：
  名称：

  Synthesis and in vitro antimycobacterial activity of novel 3-(1H-pyrrol-1-yl)-2-oxazolidinone analogues of PNU-100480

  摘要：

  Pursuing our search program for new antitubercular drugs we decided to explore the potentiality of oxazolidinone moiety by synthesizing novel 3-(1H-pyrrol-1-yl)-2-oxazolidinone analogues of PNU-100480. The new derivatives were tested against atypical mycobacteria as well as against drug resistant Mycobacterium tuberculosis and some of them exhibited a fairly good activity against Mycobacterium avium complex (MAC). (C) 2004 Published by Elsevier Ltd.

  DOI：

  10.1016/j.bmcl.2004.01.010
• 作为产物：
  描述：

  2,5-二甲氧基-3-四氢呋喃缩醛 、 3-氟苯胺 在 溶剂黄146 作用下， 反应 0.5h， 生成 1-(3-Fluorophenyl)pyrrole-3-carbaldehyde
  参考文献：
  名称：

  Novel HIV-1 protease inhibitors active against multiple PI-Resistant viral strains: coadministration with indinavir

  摘要：

  HIV-1 protease inhibitors (PI) with an N-arylpyrrole moiety in the P-3 position afforded excellent antiviral potency and substantially improved aqueous solubility over previously reported variants. The rapid in vitro clearance of these compounds in human liver microsomes prompted oral coadministration with indinavir to hinder their metabolism by the cyctochrome P450 3A4 isozyme and allow for in vivo PK assessment. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2003.08.049