3,6-Dimethyl-2-methylselanyl-thieno[3,2-b]thiophene | 180903-84-8

• 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: 3,6-Dimethyl-2-methylselanyl-thieno[3,2-b]thiophene
• 英文别名: 3,6-Dimethyl-5-methylselanylthieno[3,2-b]thiophene
• CAS: 180903-84-8
• 化学式: C₉H₁₀S₂Se
• 分子量: 261.27
• InChiKey: KBAFFXNZNPMCQM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.96
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  56.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3,6-Dimethyl-2-methylselanyl-thieno[3,2-b]thiophene 在 乙酸酐 、 copper(II) nitrate 作用下， 反应 4.0h， 以22%的产率得到3,6-Dimethyl-2-methylselanyl-5-nitro-thieno[3,2-b]thiophene
  参考文献：
  名称：

  Chalcogens as electron donors for selected nonlinear optic phores

  摘要：

  Three different heteroaromatic charge transfer chromophores, e.g. donor(D)acceptor(A)-substituted thieno[3,2-b]thiophenes 3 and 4, D-substituted thieno [2,3-c] pyridinium salts 7 and 2-(2'-thienyl)pyridinium salts 10 have been prepared, Alkylchalcogenic ethers were used as D-groups. The molecular first hyperpolarizabilities beta were determined by the EFISH method in the case of 3 and 4 and by the HRS method in the case of the ionic compounds 7 and 10, Substitution of the ether oxygen atom by sulfur increases markedly the beta value which is not further increased by the higher chalcogens selenium and tellurium.

  DOI：

  10.1039/p29960001377
• 作为产物：
  描述：

  3,6-dimethylthieno[3,2-b]thiophene 、 碘甲烷 在 selenium 、 正丁基锂 作用下， 生成 3,6-Dimethyl-2-methylselanyl-thieno[3,2-b]thiophene
  参考文献：
  名称：

  Chalcogens as electron donors for selected nonlinear optic phores

  摘要：

  Three different heteroaromatic charge transfer chromophores, e.g. donor(D)acceptor(A)-substituted thieno[3,2-b]thiophenes 3 and 4, D-substituted thieno [2,3-c] pyridinium salts 7 and 2-(2'-thienyl)pyridinium salts 10 have been prepared, Alkylchalcogenic ethers were used as D-groups. The molecular first hyperpolarizabilities beta were determined by the EFISH method in the case of 3 and 4 and by the HRS method in the case of the ionic compounds 7 and 10, Substitution of the ether oxygen atom by sulfur increases markedly the beta value which is not further increased by the higher chalcogens selenium and tellurium.

  DOI：

  10.1039/p29960001377

文献信息

• Chalcogens as electron donors for selected nonlinear optic phores
  作者：Martin Blenkle、Peter Boldt、Christoph Bräuchle、Walter Grahn、Isabelle Ledoux、Heiko Nerenz、Stefan Stadler、Jürgen Wichern、Joseph Zyss

  DOI：10.1039/p29960001377

  日期：——

  Three different heteroaromatic charge transfer chromophores, e.g. donor(D)acceptor(A)-substituted thieno[3,2-b]thiophenes 3 and 4, D-substituted thieno [2,3-c] pyridinium salts 7 and 2-(2'-thienyl)pyridinium salts 10 have been prepared, Alkylchalcogenic ethers were used as D-groups. The molecular first hyperpolarizabilities beta were determined by the EFISH method in the case of 3 and 4 and by the HRS method in the case of the ionic compounds 7 and 10, Substitution of the ether oxygen atom by sulfur increases markedly the beta value which is not further increased by the higher chalcogens selenium and tellurium.