ethyl 7-hydroxy-2H-spiro[1-benzofuran-3,4'-piperidine]-1'-carboxylate | 1372148-02-1

• 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: ethyl 7-hydroxy-2H-spiro[1-benzofuran-3,4'-piperidine]-1'-carboxylate
• CAS: 1372148-02-1
• 化学式: C₁₅H₁₉NO₄
• 分子量: 277.32
• InChiKey: OGTDXLBACAJBBU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.27
• 重原子数：
  20.0
• 可旋转键数：
  1.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  59.0
• 氢给体数：
  1.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  ethyl 7-hydroxy-2H-spiro[1-benzofuran-3,4'-piperidine]-1'-carboxylate 在 盐酸 、 水 、 溶剂黄146 作用下， 反应 18.0h， 以98%的产率得到2H-spiro[1-benzofuran-3,4'-piperidin]-7-ol hydrochloride
  参考文献：
  名称：

  Synthesis of novel 2H-spiro[1-benzofuran-3,4′-piperidin]ol scaffolds

  摘要：

  With the aim to enrich our 'privileged structure'-based library, novel 2H-spiro[1-benzofuran-3,4'-piperidin]ol scaffolds were prepared. The method involved a key intramolecular Heck cyclization which was successfully applied for three series of compounds. The desired scaffolds were obtained in overall yields of 42-53%. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2012.03.005
• 作为产物：
  描述：

  ethyl 4-[2-(benzyloxy)-6-bromophenoxymethyl]-1,2,3,6-tetrahydropyridine-1-carboxylate 在 trans-di(μ-acetato)bis[o-(di-o-tolylphosphino)benzyl]dipalladium(II) 、 palladium 10% on activated carbon 、 氢气 、 silver carbonate 作用下， 以 N-甲基吡咯烷酮 、 甲醇 、 乙酸乙酯 为溶剂， 20.0~140.0 ℃ 、101.33 kPa 条件下， 反应 36.0h， 生成 ethyl 7-hydroxy-2H-spiro[1-benzofuran-3,4'-piperidine]-1'-carboxylate
  参考文献：
  名称：

  Synthesis of novel 2H-spiro[1-benzofuran-3,4′-piperidin]ol scaffolds

  摘要：

  With the aim to enrich our 'privileged structure'-based library, novel 2H-spiro[1-benzofuran-3,4'-piperidin]ol scaffolds were prepared. The method involved a key intramolecular Heck cyclization which was successfully applied for three series of compounds. The desired scaffolds were obtained in overall yields of 42-53%. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2012.03.005