4,5,9,10-tetrakis(5-n-butylthien-2-yl)pyrene | 1320215-18-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 芘
• 英文名称: 4,5,9,10-tetrakis(5-n-butylthien-2-yl)pyrene
• 英文别名: 2-Butyl-5-[5,9,10-tris(5-butylthiophen-2-yl)pyren-4-yl]thiophene；2-butyl-5-[5,9,10-tris(5-butylthiophen-2-yl)pyren-4-yl]thiophene
• CAS: 1320215-18-6
• 化学式: C₄₈H₅₀S₄
• 分子量: 755.189
• InChiKey: JAOTZQAWTQBSPY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  17.3
• 重原子数：
  52
• 可旋转键数：
  16
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  113
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4,5,9,10-tetrakis(5-n-butylthien-2-yl)pyrene 在 iron(III) chloride 作用下， 以 硝基甲烷 、 二氯甲烷 为溶剂， 反应 0.5h， 以17%的产率得到2,5,11,14-tetra-n-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
• 作为产物：
  描述：

  9,10-dibromopyrene-4,5-dione 在 吡啶 、 四(三苯基膦)钯 、 sodium dithionite 、 水 作用下， 以 四氢呋喃 、 甲苯 为溶剂， 反应 4.0h， 生成 4,5,9,10-tetrakis(5-n-butylthien-2-yl)pyrene
  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)