1-(2-fluorophenyl)pyrrole-3-carboxylic acid | 691862-72-3

• 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-(2-fluorophenyl)pyrrole-3-carboxylic acid
• CAS: 691862-72-3
• 化学式: C₁₁H₈FNO₂
• 分子量: 205.188
• InChiKey: GBATUNLNNBRJEL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.31
• 重原子数：
  15.0
• 可旋转键数：
  2.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  42.23
• 氢给体数：
  1.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  1-(2-fluorophenyl)pyrrole-3-carboxylic acid 在 正丁基锂 、 二苯基膦叠氮化物 、 三乙胺 作用下， 以 四氢呋喃 、 二氯甲烷 、 苯 为溶剂， 反应 7.83h， 生成 Methanesulfonic acid (R)-3-[1-(2-fluoro-phenyl)-1H-pyrrol-3-yl]-2-oxo-oxazolidin-5-ylmethyl ester
  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-氟苯胺 在 sodium hydroxide 、 silver nitrate 、 溶剂黄146 作用下， 以 甲醇 为溶剂， 反应 5.25h， 生成 1-(2-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