1-Morpholin-4-ylpyrrole-3-carboxylic acid | 691863-42-0

• 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-Morpholin-4-ylpyrrole-3-carboxylic acid
• CAS: 691863-42-0
• 化学式: C₉H₁₂N₂O₃
• 分子量: 196.206
• InChiKey: NHYYKAZRHHZBJL-UHFFFAOYSA-N

物化性质

• 沸点：
  407.2±55.0 °C(Predicted)
• 密度：
  1.37±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.4
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  54.7
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1-Morpholin-4-ylpyrrole-3-carboxylic acid 在 palladium on activated charcoal 正丁基锂 、 sodium azide 、 二苯基膦叠氮化物 、 氢气 、 三乙胺 作用下， 以 四氢呋喃 、 甲醇 、 二氯甲烷 、 N,N-二甲基甲酰胺 、 苯 为溶剂， -78.0~65.0 ℃ 、379.21 kPa 条件下， 反应 26.0h， 生成 N-[(S)-3-(1-Morpholin-4-yl-1H-pyrrol-3-yl)-2-oxo-oxazolidin-5-ylmethyl]-acetamide
  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：

  1-morpholin-4-ylpyrrole-3-carbaldehyde 在 sodium hydroxide 、 silver nitrate 作用下， 以 甲醇 为溶剂， 反应 5.0h， 生成 1-Morpholin-4-ylpyrrole-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