1,1,2,2-tetrakis(5-(trimethylsilyl)dithieno[2,3-b:3′,2′-d]thiophen-2-yl)ethene | 1442691-65-7

• 分子结构分类: 有机化合物 - 有机杂环化合物
• 英文名称: 1,1,2,2-tetrakis(5-(trimethylsilyl)dithieno[2,3-b:3′,2′-d]thiophen-2-yl)ethene
• 英文别名: Trimethyl-[10-[1,2,2-tris(10-trimethylsilyl-5,7,9-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),3,10-tetraen-4-yl)ethenyl]-5,7,9-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),3,10-tetraen-4-yl]silane
• CAS: 1442691-65-7
• 化学式: C₄₆H₄₄S₁₂Si₄
• 分子量: 1093.99
• InChiKey: JHQCEBJVBKDUSL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  18.84
• 重原子数：
  62
• 可旋转键数：
  8
• 环数：
  12.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  339
• 氢给体数：
  0
• 氢受体数：
  12

反应信息

• 作为反应物：
  描述：

  1,1,2,2-tetrakis(5-(trimethylsilyl)dithieno[2,3-b:3′,2′-d]thiophen-2-yl)ethene 在 碘 作用下， 以 苯 为溶剂， 反应 0.83h， 以30.9%的产率得到8,17,31,40-Tetraoctyl-3,5,7,18,20,22,26,28,30,41,43,45-dodecathiatetradecacyclo[22.22.0.02,12.04,11.06,10.013,23.014,21.015,19.025,35.027,34.029,33.036,46.037,44.038,42]hexatetraconta-1,4(11),6(10),8,12,14(21),15(19),16,23,25(35),27(34),29(33),31,36(46),37(44),38(42),39-heptadecaene
  参考文献：
  名称：

  Synthesis for the Mesomer and Racemate of Thiophene-Based Double Helicene under Irradiation

  摘要：

  In this work, the racernate and mesorner of the thiophene-based naphthalene-cored double helicenes (1) were obtained efficiently by one-pot photocyclization of 1,1,2,2-tetralcis(dithieno[2,3-b:3',2'-d]thiophen-2-yOethene in the presence of iodine in dry benzene. The structure of meso-la was confirmed by single crystal X-ray analysis. The chiral resolution of the racemate was carried out by chiral HPLC, and the chiral properties, such as CD spectra, optical rotations, and half-life of enantiorners were characterized.

  DOI：

  10.1021/jo400691s
• 作为产物：
  描述：

  bis(5-(trimethylsilyl)dithieno[2,3-b:3′,2′-d]-thiophen-2-yl)methanone 在 吡啶 、 四氯化钛 、 锌 作用下， 以 四氢呋喃 为溶剂， 以25.8%的产率得到1,1,2,2-tetrakis(5-(trimethylsilyl)dithieno[2,3-b:3′,2′-d]thiophen-2-yl)ethene
  参考文献：
  名称：

  Synthesis for the Mesomer and Racemate of Thiophene-Based Double Helicene under Irradiation

  摘要：

  In this work, the racernate and mesorner of the thiophene-based naphthalene-cored double helicenes (1) were obtained efficiently by one-pot photocyclization of 1,1,2,2-tetralcis(dithieno[2,3-b:3',2'-d]thiophen-2-yOethene in the presence of iodine in dry benzene. The structure of meso-la was confirmed by single crystal X-ray analysis. The chiral resolution of the racemate was carried out by chiral HPLC, and the chiral properties, such as CD spectra, optical rotations, and half-life of enantiorners were characterized.

  DOI：

  10.1021/jo400691s