(S)-5-Aminomethyl-3-(1-phenyl-1H-pyrrol-3-yl)-oxazolidin-2-one | 691863-28-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: (S)-5-Aminomethyl-3-(1-phenyl-1H-pyrrol-3-yl)-oxazolidin-2-one
• CAS: 691863-28-2
• 化学式: C₁₄H₁₅N₃O₂
• 分子量: 257.292
• InChiKey: PKJHMBCGTPCMTK-ZDUSSCGKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.76
• 重原子数：
  19.0
• 可旋转键数：
  3.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  60.49
• 氢给体数：
  1.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  乙酰氯 、 (S)-5-Aminomethyl-3-(1-phenyl-1H-pyrrol-3-yl)-oxazolidin-2-one 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 0.17h， 生成 N-[(S)-2-Oxo-3-(1-phenyl-1H-pyrrol-3-yl)-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-phenyl-1H-pyrrole-3-carbaldehyde 在 palladium on activated charcoal sodium hydroxide 、 正丁基锂 、 sodium azide 、 二苯基膦叠氮化物 、 氢气 、 silver nitrate 、 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 30.83h， 生成 (S)-5-Aminomethyl-3-(1-phenyl-1H-pyrrol-3-yl)-oxazolidin-2-one
  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