| 1620136-06-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 内酯类
• CAS: 1620136-06-2
• 化学式: C₈H₉F₂NO₂
• 分子量: 189.162
• InChiKey: GJPHUCINUIUMFF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.84
• 重原子数：
  13.0
• 可旋转键数：
  4.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  38.33
• 氢给体数：
  1.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  以 四氢呋喃 、 乙腈 为溶剂， 反应 3.0h， 生成 N-tert-butoxycarbonyl-5,7-difluoro-3-aza-9-oxatricyclo[5.3.0.0^1,5]decan-8-one
  参考文献：
  名称：

  An Intramolecular [2 + 2] Photocycloaddition Approach to Conformationally Restricted Bis-Pyrrolidines

  摘要：

  With N-Boc-protected 4-(allylaminomethyl)-2-(5H)furanones as starting materials, a photochemical approach is presented to give 3,9-diazatricyclo[5.3.0.0(1,5)]decanes as conformationally restricted bis-pyrrolidines. The products are orthogonally protected at the two nitrogen atoms and exhibit, depending on the substitution pattern at positions C5, C6, and C7, latent C-2 symmetry. When the furanones had a phenyl group at the 3-position (X-3), alternative photochemical pathways were observed.

  DOI：

  10.1021/jo501302f
• 作为产物：
  描述：

  2-氟丙-2-烯-1-胺 、 4-(bromomethyl)-3-fluoro-2(5H)-furanone 在 三乙胺 作用下， 以 四氢呋喃 为溶剂， 反应 14.0h， 生成
  参考文献：
  名称：

  An Intramolecular [2 + 2] Photocycloaddition Approach to Conformationally Restricted Bis-Pyrrolidines

  摘要：

  With N-Boc-protected 4-(allylaminomethyl)-2-(5H)furanones as starting materials, a photochemical approach is presented to give 3,9-diazatricyclo[5.3.0.0(1,5)]decanes as conformationally restricted bis-pyrrolidines. The products are orthogonally protected at the two nitrogen atoms and exhibit, depending on the substitution pattern at positions C5, C6, and C7, latent C-2 symmetry. When the furanones had a phenyl group at the 3-position (X-3), alternative photochemical pathways were observed.

  DOI：

  10.1021/jo501302f