2,7-bis(tert-butyldimethylsilyl)bis(thieno[3,2-b]thieno)[3,2-c;2',3'-e][1,2]dithiin | 887704-83-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻吩并噻吩类
• 英文名称: 2,7-bis(tert-butyldimethylsilyl)bis(thieno[3,2-b]thieno)[3,2-c;2',3'-e][1,2]dithiin
• 英文别名: Tert-butyl-[15-[tert-butyl(dimethyl)silyl]-3,7,10,11,14,18-hexathiapentacyclo[10.6.0.02,9.04,8.013,17]octadeca-1(12),2(9),4(8),5,13(17),15-hexaen-6-yl]-dimethylsilane；tert-butyl-[15-[tert-butyl(dimethyl)silyl]-3,7,10,11,14,18-hexathiapentacyclo[10.6.0.02,9.04,8.013,17]octadeca-1(12),2(9),4(8),5,13(17),15-hexaen-6-yl]-dimethylsilane
• CAS: 887704-83-8
• 化学式: C₂₄H₃₂S₆Si₂
• 分子量: 569.085
• InChiKey: NKYCANQQOSYPJM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.45
• 重原子数：
  32
• 可旋转键数：
  4
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  164
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  bis(1,5-cyclooctadiene)nickel (0) 、 2,7-bis(tert-butyldimethylsilyl)bis(thieno[3,2-b]thieno)[3,2-c;2',3'-e][1,2]dithiin 、 三苯基膦 以 甲苯 为溶剂， 以67%的产率得到
  参考文献：
  名称：

  Reactions of Fused Polycyclic 1,2-Dithiins with Transition Metals:  Synthesis of Heteroacenes via Desulfurization

  摘要：

  Bis(thieno[3,2-b]thiophene)-fused 1,2-dithiin reacts with a stoichiometric amount of Ni(cod)(2)/2PPh(3) to produce a dimeric Ni(II) complex via the oxidative addition of the disulfide bond in the 1,2-dithiin skeleton to the Ni(0) center. An X-ray crystal structure analysis revealed that this complex has a dimeric structure in which one sulfur atom derived from the disulfide bond bridges two metal centers. The resultant Ni complex undergoes desulfurization at elevated temperature to produce a fully fused thiophene-based heteroacene.

  DOI：

  10.1021/om051000g

文献信息

• Reactions of Fused Polycyclic 1,2-Dithiins with Transition Metals:  Synthesis of Heteroacenes via Desulfurization
  作者：Kenichi Kudoh、Toshihiro Okamoto、Shigehiro Yamaguchi

  DOI：10.1021/om051000g

  日期：2006.4.1

  Bis(thieno[3,2-b]thiophene)-fused 1,2-dithiin reacts with a stoichiometric amount of Ni(cod)(2)/2PPh(3) to produce a dimeric Ni(II) complex via the oxidative addition of the disulfide bond in the 1,2-dithiin skeleton to the Ni(0) center. An X-ray crystal structure analysis revealed that this complex has a dimeric structure in which one sulfur atom derived from the disulfide bond bridges two metal centers. The resultant Ni complex undergoes desulfurization at elevated temperature to produce a fully fused thiophene-based heteroacene.