(5-cyano-benzofuro)[3,2-f](8-nitro-butyldibenzofuro)[2,1-c]chromene | 1402921-27-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: (5-cyano-benzofuro)[3,2-f](8-nitro-butyldibenzofuro)[2,1-c]chromene
• 英文别名: 25-Nitro-10,15,21-trioxaheptacyclo[15.11.0.02,14.03,11.04,9.020,28.022,27]octacosa-1(17),2(14),3(11),4(9),5,7,12,18,20(28),22(27),23,25-dodecaene-6-carbonitrile；25-nitro-10,15,21-trioxaheptacyclo[15.11.0.02,14.03,11.04,9.020,28.022,27]octacosa-1(17),2(14),3(11),4(9),5,7,12,18,20(28),22(27),23,25-dodecaene-6-carbonitrile
• CAS: 1402921-27-0
• 化学式: C₂₆H₁₂N₂O₅
• 分子量: 432.392
• InChiKey: BWVIDEQJSUQUFV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.1
• 重原子数：
  33
• 可旋转键数：
  0
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.04
• 拓扑面积：
  105
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  1-(4-carbomethoxyphenoxy)-2-chloro-4-nitrobenzene 在 N,N-二甲基乙酰胺 、 水 、 palladium diacetate 、 三溴化磷 、 二异丁基氢化铝 、 potassium carbonate 、 tricyclohexylphosphine tetrafluoroborate 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 27.0h， 生成 (5-cyano-benzofuro)[3,2-f](8-nitro-butyldibenzofuro)[2,1-c]chromene
  参考文献：
  名称：

  A Fragment-Based Approach toward Substituted Trioxa[7]helicenes

  摘要：

  A series of novel substituted trioxa[7]helicenes have been successfully prepared by a one-pot palladium catalyzed C-H arylation reaction starting from readily prepared dibenzofuran fragments. The dinitro-substituted helicene was analyzed by X-ray crystallography revealing the occurrence of two distinct enantiomers in the asymmetric unit, which forms interesting supramolecular motifs in the crystal, based on weak H-bonding interactions.

  DOI：

  10.1021/ol3023209

文献信息

• A Fragment-Based Approach toward Substituted Trioxa[7]helicenes
  作者：Hans Kelgtermans、Liliana Dobrzańska、Luc Van Meervelt、Wim Dehaen

  DOI：10.1021/ol3023209

  日期：2012.10.19

  A series of novel substituted trioxa[7]helicenes have been successfully prepared by a one-pot palladium catalyzed C-H arylation reaction starting from readily prepared dibenzofuran fragments. The dinitro-substituted helicene was analyzed by X-ray crystallography revealing the occurrence of two distinct enantiomers in the asymmetric unit, which forms interesting supramolecular motifs in the crystal, based on weak H-bonding interactions.