21,27,33,38-tetratert-butyl-10-(6,7-dihydro-5H-[1,3]dithiolo[4,5-b][1,4]dithiepin-2-ylidene)-42,43-dimethoxy-3,17-dioxa-7,9,11,13,24,30,35,41-octathiaheptacyclo[17.15.7.125,29.136,40.02,31.08,12.018,23]tritetraconta-1,8(12),18,20,22,25(43),26,28,31,33,36,38,40(42)-tridecaene | 1253248-36-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 21,27,33,38-tetratert-butyl-10-(6,7-dihydro-5H-[1,3]dithiolo[4,5-b][1,4]dithiepin-2-ylidene)-42,43-dimethoxy-3,17-dioxa-7,9,11,13,24,30,35,41-octathiaheptacyclo[17.15.7.125,29.136,40.02,31.08,12.018,23]tritetraconta-1,8(12),18,20,22,25(43),26,28,31,33,36,38,40(42)-tridecaene
• CAS: 1253248-36-0
• 化学式: C₅₇H₆₈O₄S₁₂
• 分子量: 1201.96
• InChiKey: RHEATSRYDGNKML-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  20.6
• 重原子数：
  73
• 可旋转键数：
  6
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  341
• 氢给体数：
  0
• 氢受体数：
  16

反应信息

• 作为产物：
  描述：

  、 2,6,8,10-tetrathiobicyclo[5,3,0]dec-1(7)en-9-one 在 亚磷酸三乙酯 作用下， 以 甲苯 为溶剂， 反应 6.0h， 以20%的产率得到21,27,33,38-tetratert-butyl-10-(6,7-dihydro-5H-[1,3]dithiolo[4,5-b][1,4]dithiepin-2-ylidene)-42,43-dimethoxy-3,17-dioxa-7,9,11,13,24,30,35,41-octathiaheptacyclo[17.15.7.125,29.136,40.02,31.08,12.018,23]tritetraconta-1,8(12),18,20,22,25(43),26,28,31,33,36,38,40(42)-tridecaene
  参考文献：
  名称：

  Synthesis, Structure and Electrochemical Behavior of a Novel Redox-Active Thiacalix[4]arene-Tetrathiafulvalene Assembly

  摘要：

  A novel redox-active thiacalix[4]arene-tetrathiafulvalene assembly 5 was carried out through triethyl phosphite-mediated cross-coupling of the corresponding two 1,3-dithiole-2-(thi)ones (3 and 4). The structure of thiacalix[4]arene-tetrathiafulvalene assembly 5 was identified by X-ray diffraction analysis. Meanwhile, the preliminary electrochemical properties of 5 was investigated by cyclic voltammetry (CV) and two one-electron quasi-reversible waves with redox potentials are observed.

  DOI：

  10.3987/com-10-11965

文献信息

• Synthesis, Structure and Electrochemical Behavior of a Novel Redox-Active Thiacalix[4]arene-Tetrathiafulvalene Assembly
  作者：Bang-Tun Zhao、Wen-Bo Guo、Pu-Zhou Hu

  DOI：10.3987/com-10-11965

  日期：——

  A novel redox-active thiacalix[4]arene-tetrathiafulvalene assembly 5 was carried out through triethyl phosphite-mediated cross-coupling of the corresponding two 1,3-dithiole-2-(thi)ones (3 and 4). The structure of thiacalix[4]arene-tetrathiafulvalene assembly 5 was identified by X-ray diffraction analysis. Meanwhile, the preliminary electrochemical properties of 5 was investigated by cyclic voltammetry (CV) and two one-electron quasi-reversible waves with redox potentials are observed.