ethyl (3S)-3-[(1R)-7-ethoxycarbonyl-3-oxo-1,2-dihydroinden-1-yl]-1-oxo-2,3-dihydroindene-4-carboxylate | 1216934-81-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 茚满类
• 英文名称: ethyl (3S)-3-[(1R)-7-ethoxycarbonyl-3-oxo-1,2-dihydroinden-1-yl]-1-oxo-2,3-dihydroindene-4-carboxylate
• CAS: 1216934-81-4
• 化学式: C₂₄H₂₂O₆
• 分子量: 406.435
• InChiKey: HZMMIMSAIXPAJH-HDICACEKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  30
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  86.7
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  乙醇 、 一氧化碳 、 4-Bromo-3-(7-bromo-3-oxo-1,2-dihydroinden-1-yl)-2,3-dihydroinden-1-one 在 bis-triphenylphosphine-palladium(II) chloride 、 三苯基膦 作用下， 反应 48.0h， 以44%的产率得到
  参考文献：
  名称：

  Synthesis of a Basket-Shaped C₅₆H₃₈ Hydrocarbon as a Precursor toward an End-Cap Template for Carbon [6,6]Nanotubes

  摘要：

  A basket-shaped C56H38 hydrocarbon (3) possessing a 30-carbon difluorenonaphthacenyl core that can be mapped onto the surface of C-78 was synthesized from 4-bromo-1-indanone. The first stage of the synthesis involved the preparation of tetraketone 10 as a key intermediate. The use of cascade cyclization reactions of benzannulated enyne-allenes as key features in the next stage of the synthetic sequence provides an efficient route to 3 from 4-bromo-1-indanone in 12 steps. The all-cis relationship among the methyl groups and the methine hydrogens causes the two benzofluorenyl units in 3 to be in an essentially perpendicular orientation to each other. Hydrocarbon 3 and its derivatives could serve as attractive precursors leading to a geodesic C68H26 end-cap template for carbon [6,6]nanotubes.

  DOI：

  10.1021/jo100132v