anti-9-carbomethoxy<6,7>benzo-1-azaspiro<4.4>non-6-ene | 69105-69-7

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: anti-9-carbomethoxy<6,7>benzo-1-azaspiro<4.4>non-6-ene
• 英文别名: anti-9-carbomethoxy[6,7]benzo-1-azaspiro[4.4]non-6-ene
• CAS: 69105-69-7；77879-64-2
• 化学式: C₁₄H₁₇NO₂
• 分子量: 231.294
• InChiKey: NOQJROZXXHWCSI-OCCSQVGLSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.61
• 重原子数：
  17.0
• 可旋转键数：
  1.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  38.33
• 氢给体数：
  1.0
• 氢受体数：
  3.0

反应信息

• 作为产物：
  描述：

  5-苯基-3,4-二氢-2H-吡咯 在 高氯酸 、 硫酸 、 sodium methylate 作用下， 以 甲醇 为溶剂， 反应 14.5h， 生成 anti-9-carbomethoxy<6,7>benzo-1-azaspiro<4.4>non-6-ene
  参考文献：
  名称：

  Electron-transfer photochemistry of iminium salts. Olefin photoadditions to 2-phenyl-1-pyrrolinium perchlorate

  摘要：

  DOI：

  10.1021/ja00401a036

文献信息

• Broad assessment of bioactivity of a collection of spiroindane pyrrolidines through “cell painting”
  作者：Manvendra Singh、Nathan Garza、Zachary Pearson、Justin Douglas、Zarko Boskovic

  DOI：10.1016/j.bmc.2020.115547

  日期：2020.7

  A collection of small molecules has been synthesized by composing photo-cycloaddition, C-H functionalization, and N-capping strategies. Multidimensional biological fingerprints of molecules comprising this collection have been recorded as changes in cell and organelle morphology. This untargeted, phenotypic approach allowed for a broad assessment of biological activity to be determined. Reproducibility and the magnitude of measured fingerprints revealed activity of several treatments. Reactive functional groups, such as imines, dominated the observed activity. Two non-reactive candidate compounds with distinct bioactivity fingerprints were identified, as well.