isobutyl pyrimidin-2-yl carbamate | 824933-16-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: isobutyl pyrimidin-2-yl carbamate
• 英文别名: 2-Methylpropyl pyrimidin-2-ylcarbamate；2-methylpropyl N-pyrimidin-2-ylcarbamate
• CAS: 824933-16-6
• 化学式: C₉H₁₃N₃O₂
• mdl: MFCD24389753
• 分子量: 195.221
• InChiKey: UAJVYAFJEQQIMV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  14
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.444
• 拓扑面积：
  64.1
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  司维拉姆杂质 、 isobutyl pyrimidin-2-yl carbamate 在 三乙胺 作用下， 反应 3.0h， 以13%的产率得到(2-oxo-3-pyrimidin-2-yl-1,3-oxazolidin-5-yl)methyl 4-methylbenzenesulfonate
  参考文献：
  名称：

  Synthesis and antibacterial evaluation of oxazolidin-2-ones structurally related to linezolid

  摘要：

  Compounds structurally related to the known antimicrobial drug linezolid were selected in order to evaluate the influence of electron-withdrawing properties and altered geometric features as a result of the N-substituent modification. After a preliminary study of molecular modeling, cinnamoyl-, pyridin- and pyrimidinoxazolidin-2-ones were synthesized. None of the new compounds showed antibacterial activity.

  DOI：

  10.1016/j.farmac.2004.05.002
• 作为产物：
  描述：

  1,3,5-三嗪-2,4,6-三胺,N,N'''-1,2-乙二基二[N-[3-[[4,6-二[丁基(2,2,6,6-四甲基-4-哌啶基)氨基]-1,3,5-三嗪-2-基]氨基]丙基]-N,N''-二丁基-N,N''-二(2,2,6,6-四甲基-4-哌啶基)- 、 氯甲酸异丁酯 在 三乙胺 作用下， 以 四氢呋喃 为溶剂， 反应 22.0h， 以40%的产率得到isobutyl pyrimidin-2-yl carbamate
  参考文献：
  名称：

  Synthesis and antibacterial evaluation of oxazolidin-2-ones structurally related to linezolid

  摘要：

  Compounds structurally related to the known antimicrobial drug linezolid were selected in order to evaluate the influence of electron-withdrawing properties and altered geometric features as a result of the N-substituent modification. After a preliminary study of molecular modeling, cinnamoyl-, pyridin- and pyrimidinoxazolidin-2-ones were synthesized. None of the new compounds showed antibacterial activity.

  DOI：

  10.1016/j.farmac.2004.05.002

文献信息

• Synthesis and antibacterial evaluation of oxazolidin-2-ones structurally related to linezolid
  作者：Alessandra Ammazzalorso、Rosa Amoroso、Giancarlo Bettoni、Marialuigia Fantacuzzi、Barbara De Filippis、Letizia Giampietro、Cristina Maccallini、Domenico Paludi、Maria L. Tricca

  DOI：10.1016/j.farmac.2004.05.002

  日期：2004.9

  Compounds structurally related to the known antimicrobial drug linezolid were selected in order to evaluate the influence of electron-withdrawing properties and altered geometric features as a result of the N-substituent modification. After a preliminary study of molecular modeling, cinnamoyl-, pyridin- and pyrimidinoxazolidin-2-ones were synthesized. None of the new compounds showed antibacterial activity.