propan-2-yl 6-[(2-fluoro-4-methylsulfonylphenoxy)methyl]spiro[2H-pyrazolo[5,1-b][1,3]oxazole-3,4'-piperidine]-1'-carboxylate | 1293319-32-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: propan-2-yl 6-[(2-fluoro-4-methylsulfonylphenoxy)methyl]spiro[2H-pyrazolo[5,1-b][1,3]oxazole-3,4'-piperidine]-1'-carboxylate
• CAS: 1293319-32-0
• 化学式: C₂₁H₂₆FN₃O₆S
• 分子量: 467.518
• InChiKey: RUCGXCCUDFQEFR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  32
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.52
• 拓扑面积：
  108
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  在 10% Pd(OH)2 on carbon 、 氢气 、 sodium hexamethyldisilazane 作用下， 以 1,4-二氧六环 、 甲醇 、 甲苯 为溶剂， 100.0~120.0 ℃ 、344.75 kPa 条件下， 生成 propan-2-yl 6-[(2-fluoro-4-methylsulfonylphenoxy)methyl]spiro[2H-pyrazolo[5,1-b][1,3]oxazole-3,4'-piperidine]-1'-carboxylate
  参考文献：
  名称：

  Synthesis of two novel regioisomeric oxospiropyrazole piperidine scaffolds

  摘要：

  The synthesis of two unprecedented regioisomeric oxospiropyrazole piperidine scaffolds is detailed. Their potential utility as templates for drug discovery is also exemplified. Chemical stability and solid state conformation were also evaluated. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2011.02.060

文献信息

• Synthesis of two novel regioisomeric oxospiropyrazole piperidine scaffolds
  作者：Benjamin D. Stevens、Etzer Darout、Vincent Mascitti、Kim F. McClure

  DOI：10.1016/j.tetlet.2011.02.060

  日期：2011.4

  The synthesis of two unprecedented regioisomeric oxospiropyrazole piperidine scaffolds is detailed. Their potential utility as templates for drug discovery is also exemplified. Chemical stability and solid state conformation were also evaluated. (C) 2011 Elsevier Ltd. All rights reserved.