4-(2-bromophenyl)-3,3-dimethyloxetan-2-one | 1058629-01-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 内酯类
• 英文名称: 4-(2-bromophenyl)-3,3-dimethyloxetan-2-one
• CAS: 1058629-01-8
• 化学式: C₁₁H₁₁BrO₂
• 分子量: 255.111
• InChiKey: AGGQFVAQYOBUCU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.07
• 重原子数：
  14.0
• 可旋转键数：
  1.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  26.3
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  4-(2-bromophenyl)-3,3-dimethyloxetan-2-one 、 丙烯胺 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 以92%的产率得到
  参考文献：
  名称：

  On the antibiotic activity of oxazolomycin

  摘要：

  Structural analysis of oxazolomycin and simpler fragments containing a common 3-hydroxy-2,2-dimethylpropanamide moiety has indicated that a U-shaped conformation is preferred, in some cases stabilised by hydrogen bonding between the N-H and O-H residues, as shown by a combination of molecular modelling, NMR spectroscopic and single crystal X-ray analysis. A direct synthesis of this unit has been established via the opening of b-lactones by a range of amines, and their antibacterial activity been shown to vary with the hydrophobic character of the substituents. (c) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.05.105
• 作为产物：
  描述：

  异丁酸苯酯 、 邻溴苯甲醛 在 lithium diisopropyl amide 作用下， 以 四氢呋喃 为溶剂， 反应 3.0h， 以36%的产率得到4-(2-bromophenyl)-3,3-dimethyloxetan-2-one
  参考文献：
  名称：

  On the antibiotic activity of oxazolomycin

  摘要：

  Structural analysis of oxazolomycin and simpler fragments containing a common 3-hydroxy-2,2-dimethylpropanamide moiety has indicated that a U-shaped conformation is preferred, in some cases stabilised by hydrogen bonding between the N-H and O-H residues, as shown by a combination of molecular modelling, NMR spectroscopic and single crystal X-ray analysis. A direct synthesis of this unit has been established via the opening of b-lactones by a range of amines, and their antibacterial activity been shown to vary with the hydrophobic character of the substituents. (c) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.05.105