3-benzyl-3-azabicyclo[3.1.1]heptan-6-one oxime | 1245794-59-5

• 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: 3-benzyl-3-azabicyclo[3.1.1]heptan-6-one oxime
• 英文别名: N-(3-benzyl-3-azabicyclo[3.1.1]heptan-6-ylidene)hydroxylamine
• CAS: 1245794-59-5
• 化学式: C₁₃H₁₆N₂O
• 分子量: 216.283
• InChiKey: MFQVGLNISWLAIU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  35.8
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-benzyl-3-azabicyclo[3.1.1]heptan-6-one oxime 在 氨 、 氢气 作用下， 以 甲醇 为溶剂， 20.0 ℃ 、5.0 MPa 条件下， 反应 16.0h， 以91%的产率得到6-氨基-3-苄基-3-氮杂双环[3.1.1]庚烷
  参考文献：
  名称：

  3-Benzyl-3-azabicyclo[3.1.1]heptan-6-one: A Promising Building Block for Medicinal Chemistry

  摘要：

  An efficient two-step multigram synthesis of the previously unknown 3-benzyl-3-azabicyclo[3.1.1]heptan-6-one is described. The compound is shown to be a promising building block for further selective derivatization of the cyclobutane ring providing novel conformationally restricted piperidine derivatives.

  DOI：

  10.1021/ol101866x
• 作为产物：
  描述：

  3-苄基-3-氮杂双环[3.1.1]庚烷-6-酮 在 盐酸羟胺 作用下， 以 水 为溶剂， 反应 20.0h， 以99%的产率得到3-benzyl-3-azabicyclo[3.1.1]heptan-6-one oxime
  参考文献：
  名称：

  3-Benzyl-3-azabicyclo[3.1.1]heptan-6-one: A Promising Building Block for Medicinal Chemistry

  摘要：

  An efficient two-step multigram synthesis of the previously unknown 3-benzyl-3-azabicyclo[3.1.1]heptan-6-one is described. The compound is shown to be a promising building block for further selective derivatization of the cyclobutane ring providing novel conformationally restricted piperidine derivatives.

  DOI：

  10.1021/ol101866x

文献信息

• 3-Benzyl-3-azabicyclo[3.1.1]heptan-6-one: A Promising Building Block for Medicinal Chemistry
  作者：Aleksandr V. Denisenko、Andrey P. Mityuk、Oleksandr O. Grygorenko、Dmytro M. Volochnyuk、Oleg V. Shishkin、Andrey A. Tolmachev、Pavel K. Mykhailiuk

  DOI：10.1021/ol101866x

  日期：2010.10.1

  An efficient two-step multigram synthesis of the previously unknown 3-benzyl-3-azabicyclo[3.1.1]heptan-6-one is described. The compound is shown to be a promising building block for further selective derivatization of the cyclobutane ring providing novel conformationally restricted piperidine derivatives.