tert-butyl 2-(9-oxo-9H-fluoren-2-yl)acetate | 1384518-30-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 芴
• 英文名称: tert-butyl 2-(9-oxo-9H-fluoren-2-yl)acetate
• 英文别名: Tert-butyl 2-(9-oxofluoren-2-yl)acetate；tert-butyl 2-(9-oxofluoren-2-yl)acetate
• CAS: 1384518-30-2
• 化学式: C₁₉H₁₈O₃
• 分子量: 294.35
• InChiKey: GPKPVMNFVWPZFR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.78
• 重原子数：
  22.0
• 可旋转键数：
  2.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  43.37
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  tert-butyl 2-(9-oxo-9H-fluoren-2-yl)acetate 在 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 反应 0.25h， 以84%的产率得到2-(9-oxo-9H-fluoren-2-yl)acetic acid
  参考文献：
  名称：

  Photochromism of dihydroindolizines. Part XVIII: palladium-catalyzed Negishi coupling for the synthesis of photochromic dihydro 5-azaindolizine-linker-conjugates with a terminal ethylene anchoring group

  摘要：

  Eight new photochromic dihydro 5-azaindolizine-linker-conjugates with a terminal ethylene anchoring group have been synthesized via palladium-catalyzed Negishi coupling. Polychromatic light irradiation of the photochromic dihydro 5-azaindolizines (DHAIs) led to ring-opened colored betaines which underwent reversible thermal 1,5-electrocyclization into their corresponding DHAIs in the second domain. The noteworthy multiaddressable photochromic properties are useful for a plethora of new applications for these materials such as anchoring the ethylene group to metal-oxide nanoparticles. (c) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2012.06.039
• 作为产物：
  描述：

  2-溴-9-芴酮 、 (2-tert-butoxy-2-oxoethyl)zinc(II) bromide 在 1,2,3,4,5-五苯基-1′-(二叔丁基膦)二茂铁 、 bis(dibenzylideneacetone)-palladium⁽⁰⁾ 作用下， 以 四氢呋喃 为溶剂， 反应 20.0h， 以45%的产率得到tert-butyl 2-(9-oxo-9H-fluoren-2-yl)acetate
  参考文献：
  名称：

  Photochromism of dihydroindolizines. Part XVIII: palladium-catalyzed Negishi coupling for the synthesis of photochromic dihydro 5-azaindolizine-linker-conjugates with a terminal ethylene anchoring group

  摘要：

  Eight new photochromic dihydro 5-azaindolizine-linker-conjugates with a terminal ethylene anchoring group have been synthesized via palladium-catalyzed Negishi coupling. Polychromatic light irradiation of the photochromic dihydro 5-azaindolizines (DHAIs) led to ring-opened colored betaines which underwent reversible thermal 1,5-electrocyclization into their corresponding DHAIs in the second domain. The noteworthy multiaddressable photochromic properties are useful for a plethora of new applications for these materials such as anchoring the ethylene group to metal-oxide nanoparticles. (c) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2012.06.039