1,4,5-triphenylnaphtho[2,1-b]thiophene | 1219955-27-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 1,4,5-triphenylnaphtho[2,1-b]thiophene
• 英文别名: 1,4,5-Triphenylbenzo[e][1]benzothiole
• CAS: 1219955-27-7
• 化学式: C₃₀H₂₀S
• 分子量: 412.555
• InChiKey: XVOORXVRPZFITI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.1
• 重原子数：
  31
• 可旋转键数：
  3
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  28.2
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  3,4-二苯基噻吩 、 二苯基乙炔 在 dichloro(pentamethylcyclopentadienyl)rhodium (III) dimer 、 copper(II) acetate monohydrate 、 caesium carbonate 作用下， 以 甲苯 为溶剂， 反应 7.0h， 以99%的产率得到1,4,5-triphenylnaphtho[2,1-b]thiophene
  参考文献：
  名称：

  Rhodium-Catalyzed Dehydrogenative Coupling of Phenylheteroarenes with Alkynes or Alkenes

  摘要：

  Benzo-fused tri- to heptacyclic heteroarenes were effectively constructed by the rhodium-catalyzed dehydrogenative coupling of phenylheteroarenes with alkynes. Using alkenes as coupling partners, dehydrogenative alkenylation took place selectively on the phenyl moiety of phenylheteroarenes. Several experiments with deuterium-labeled substrates indicated that double C-H bond cleavages take place even in the reaction with alkenes.

  DOI：

  10.1021/acs.joc.5b00155

文献信息

• NOVEL COMPOUND, METHOD FOR PREPARING SAME AND ORGANIC ELECTRONIC DEVICE USING SAME
  申请人：LG Chem, Ltd.

  公开号：EP2332931B1

  公开（公告）日：2015-04-22
• US9028977B2
  申请人：——

  公开号：US9028977B2

  公开（公告）日：2015-05-12
• Rhodium-Catalyzed Dehydrogenative Coupling of Phenylheteroarenes with Alkynes or Alkenes
  作者：Tomonori Iitsuka、Koji Hirano、Tetsuya Satoh、Masahiro Miura

  DOI：10.1021/acs.joc.5b00155

  日期：2015.3.6

  Benzo-fused tri- to heptacyclic heteroarenes were effectively constructed by the rhodium-catalyzed dehydrogenative coupling of phenylheteroarenes with alkynes. Using alkenes as coupling partners, dehydrogenative alkenylation took place selectively on the phenyl moiety of phenylheteroarenes. Several experiments with deuterium-labeled substrates indicated that double C-H bond cleavages take place even in the reaction with alkenes.