(5R)-3-[3-fluoro-4-[4-[(5-nitrofuran-2-yl)methyl]piperazin-1-yl]phenyl]-5-(isothiocyanatomethyl)-1,3-oxazolidin-2-one | 776296-89-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: (5R)-3-[3-fluoro-4-[4-[(5-nitrofuran-2-yl)methyl]piperazin-1-yl]phenyl]-5-(isothiocyanatomethyl)-1,3-oxazolidin-2-one
• CAS: 776296-89-0
• 化学式: C₂₀H₂₀FN₅O₅S
• 分子量: 461.474
• InChiKey: ZCCZHLWDTIOHLM-INIZCTEOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  32
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  139
• 氢给体数：
  0
• 氢受体数：
  10

反应信息

• 作为反应物：
  描述：

  (5R)-3-[3-fluoro-4-[4-[(5-nitrofuran-2-yl)methyl]piperazin-1-yl]phenyl]-5-(isothiocyanatomethyl)-1,3-oxazolidin-2-one 在 氨 作用下， 以 甲醇 为溶剂， 反应 3.0h， 以50%的产率得到(S)-N-[1-[[3-[3-fluoro-4-[N-1-[4-{2-furyl-(5-nitro)methyl}]piperazinyl]phenyl]-2-oxo-5-oxazolidinyl]methyl]]-thiourea
  参考文献：
  名称：

  Synthesis and biological activity of novel oxazolidinones

  摘要：

  A number of 5-substituted derivatives of Ranbezolid, a novel oxazolidinone were synthesized. Antibacterial activity of the compounds against a number of sensitive and resistant bacteria showed promising results. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.09.054
• 作为产物：
  描述：

  二硫化碳 、 (5S)-5-(aminomethyl)-3-(3-fluoro-4-{4-[(5-nitro-2-furyl)methyl]piperazin-1-yl}phenyl)-1,3-oxazolidin-2-one 在 三乙胺 、 氯甲酸乙酯 作用下， 以 四氢呋喃 为溶剂， 反应 7.0h， 以54%的产率得到(5R)-3-[3-fluoro-4-[4-[(5-nitrofuran-2-yl)methyl]piperazin-1-yl]phenyl]-5-(isothiocyanatomethyl)-1,3-oxazolidin-2-one
  参考文献：
  名称：

  Synthesis and biological activity of novel oxazolidinones

  摘要：

  A number of 5-substituted derivatives of Ranbezolid, a novel oxazolidinone were synthesized. Antibacterial activity of the compounds against a number of sensitive and resistant bacteria showed promising results. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.09.054

文献信息

• Synthesis and biological activity of novel oxazolidinones
  作者：Biswajit Das、A.V.S. Rajarao、Sonali Rudra、Ajay Yadav、Abhijit Ray、Manisha Pandya、Ashok Rattan、Anita Mehta

  DOI：10.1016/j.bmcl.2009.09.054

  日期：2009.11

  A number of 5-substituted derivatives of Ranbezolid, a novel oxazolidinone were synthesized. Antibacterial activity of the compounds against a number of sensitive and resistant bacteria showed promising results. (C) 2009 Elsevier Ltd. All rights reserved.