8,17-di-tert-butyldibenzo[fg,op]tetrathieno[a,c,j,l]tetracene | 1320215-10-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 芘
• 英文名称: 8,17-di-tert-butyldibenzo[fg,op]tetrathieno[a,c,j,l]tetracene
• 英文别名: 16,33-Ditert-butyl-4,11,21,28-tetrathiadecacyclo[16.16.2.02,13.03,7.08,12.014,36.019,30.020,24.025,29.031,35]hexatriaconta-1(34),2,5,7,9,12,14,16,18(36),19,22,24,26,29,31(35),32-hexadecaene；16,33-ditert-butyl-4,11,21,28-tetrathiadecacyclo[16.16.2.02,13.03,7.08,12.014,36.019,30.020,24.025,29.031,35]hexatriaconta-1(34),2,5,7,9,12,14,16,18(36),19,22,24,26,29,31(35),32-hexadecaene
• CAS: 1320215-10-8
• 化学式: C₄₀H₃₀S₄
• 分子量: 638.942
• InChiKey: HJLYKSRHVJUXFN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  14.9
• 重原子数：
  44
• 可旋转键数：
  2
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  113
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  2,7-si-tert-butyl-4,5,9,10-tetra(thien-2-yl)pyrene 在 碘 作用下， 以 甲苯 为溶剂， 以60%的产率得到8,17-di-tert-butyldibenzo[fg,op]tetrathieno[a,c,j,l]tetracene
  参考文献：
  名称：

  Saddle Shaped Hexaaryl[a,c,fg,j,l,op]tetracenes from 4,5,9,10-Tetrafunctionalized Pyrenes

  摘要：

  A new K-region functionalized pyrene is presented which was used as a building block for the straightforward synthesis of hexaaryl[a,c,fg,j,l, op]tetracene via fourfold Stille coupling and subsequent cyclodehydrogenation. Electronic properties and crystal structures are provided and reveal a saddle conformation for the curved hexaarylated tetracenes.(1)

  DOI：

  10.1021/ol2016516

文献信息

• Saddle Shaped Hexaaryl[<i>a,c,fg,j,l,op</i>]tetracenes from 4,5,9,10-Tetrafunctionalized Pyrenes
  作者：Lukas Zöphel、Volker Enkelmann、Ralph Rieger、Klaus Müllen

  DOI：10.1021/ol2016516

  日期：2011.9.2

  A new K-region functionalized pyrene is presented which was used as a building block for the straightforward synthesis of hexaaryl[a,c,fg,j,l, op]tetracene via fourfold Stille coupling and subsequent cyclodehydrogenation. Electronic properties and crystal structures are provided and reveal a saddle conformation for the curved hexaarylated tetracenes.(1)