1-methyl-9-azabicyclo[4.2.1]nonane | 145865-18-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 氮杂环庚烷
• 英文名称: 1-methyl-9-azabicyclo[4.2.1]nonane
• CAS: 145865-18-5
• 化学式: C₉H₁₇N
• mdl: MFCD19223591
• 分子量: 139.241
• InChiKey: LDEFRYVKQWKSSJ-UHFFFAOYSA-N

物化性质

• 沸点：
  192.2±8.0 °C(Predicted)
• 密度：
  0.919±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  10
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  12
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  cis-4-(benzoylamino)cyclooctanol 在 钯 chromium(VI) oxide 、 sodium tetrahydroborate 、 lithium aluminium tetrahydride 、 Hg(II) trifluoroacetate 、 硫酸 、 氢气 作用下， 以 四氢呋喃 、 二甲基亚砜 为溶剂， 生成 1-methyl-9-azabicyclo[4.2.1]nonane
  参考文献：
  名称：

  A simple approach to homotropanes and homotrop-7-enes

  摘要：

  1,4-Functionalisation of cycloocta-1,3-diene using a nitroso-cycloaddition strategy is followed by intramolecular cyclisation to yield 9-azabicyclo[4.2.1]nonanes (homotropanes) and -non-7-enes (homotrop-7-enes); the approach can be adapted to allow access to 1-methylhomotropanes.

  DOI：

  10.1016/0040-4039(92)88069-h

文献信息

• NOVEL ANNULATION CATALYSTS VIA DIRECT C-H BOND AMINATION
  申请人：President and Fellows of Harvard College

  公开号：US20220016613A1

  公开（公告）日：2022-01-20

  Disclosed are compounds, methods, reagents, systems, and kits for the preparation and utilization of monomeric or polymeric metal-based compounds. These metal-based compounds are organometallic catalysts composed of substituted dipyrrin ligands bound to transition metals. C—H bond functionalization catalysis can be performed with the disclosed organometallic catalysts to yield C—N bonds to generate substituted bicyclic, spiro, and fused nitrogen-containing heterocycles, all common motifs in various pharmaceutical and bioactive molecules.

  本文披露了用于制备和利用单体或聚合金属化合物的化合物、方法、试剂、系统和试剂盒。这些金属化合物是由取代二吡啶配体结合到过渡金属上的有机金属催化剂。使用披露的有机金属催化剂可以进行C—H键官能团化催化反应，生成取代的双环、螺旋和融合含氮杂环化合物，这些是各种药物和生物活性分子中常见的基团。
• [EN] NOVEL ANNULATION CATALYSTS VIA DIRECT C-H BOND AMINATION<br/>[FR] NOUVEAUX CATALYSEURS D'ANNULATION PAR AMINATION DIRECTE DE LIAISON C-H
  申请人：HARVARD COLLEGE

  公开号：WO2020061300A1

  公开（公告）日：2020-03-26

  Disclosed are compounds, methods, reagents, systems, and kits for the preparation and utilization of monomeric or polymeric metal-based compounds. These metal-based compounds are organometallic catalysts composed of substituted dipyrrin ligands bound to transition metals. C-H bond functionalization catalysis can be performed with the disclosed organometallic catalysts to yield C-N bonds to generate substituted bicyclic, spiro, and fused nitrogen-containg heterocycles, all common motifs in various pharmaceutical and bioactive molecules.
• A simple approach to homotropanes and homotrop-7-enes
  作者：John R. Malpass、Craig Smith

  DOI：10.1016/0040-4039(92)88069-h

  日期：1992.1

  1,4-Functionalisation of cycloocta-1,3-diene using a nitroso-cycloaddition strategy is followed by intramolecular cyclisation to yield 9-azabicyclo[4.2.1]nonanes (homotropanes) and -non-7-enes (homotrop-7-enes); the approach can be adapted to allow access to 1-methylhomotropanes.