4,5-bis(p-acetoxybenzylsulfanyl)-4',5'-ethylenedisulfanyltetrathiafulvalene | 161081-10-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚酯
• 英文名称: 4,5-bis(p-acetoxybenzylsulfanyl)-4',5'-ethylenedisulfanyltetrathiafulvalene
• 英文别名: 4,5-bis(p-acetoxybenzylthio)-1,3-dithiole-2-[(4,5-ethylenedithio)-1,3-dithiole-2-ylidene]；[4-[[5-[(4-Acetyloxyphenyl)methylsulfanyl]-2-(5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-ylidene)-1,3-dithiol-4-yl]sulfanylmethyl]phenyl] acetate
• CAS: 161081-10-3
• 化学式: C₂₆H₂₂O₄S₈
• 分子量: 654.986
• InChiKey: AIJKMZONPHATQC-UHFFFAOYSA-N

物化性质

• 沸点：
  707.9±60.0 °C(Predicted)
• 密度：
  1.57±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  7.7
• 重原子数：
  38
• 可旋转键数：
  10
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  255
• 氢给体数：
  0
• 氢受体数：
  12

反应信息

• 作为反应物：
  描述：

  4,5-bis(p-acetoxybenzylsulfanyl)-4',5'-ethylenedisulfanyltetrathiafulvalene 以50%的产率得到
  参考文献：
  名称：

  Gemmell Colin, Janairo Gerardo C., Kilburn Jeremy D., Ueck Henning, Under+, J. Chem. Soc. Perkin Trans. 1, (1994) N 19, S 2715-2720

  摘要：

  DOI：
• 作为产物：
  描述：

  4,5-bis (p-acetoxybenzylthio)-1,3-dithiole-2-thione 在 mercury(II) diacetate 、 亚磷酸三乙酯 作用下， 以 氯仿 、 溶剂黄146 、 甲苯 为溶剂， 反应 48.0h， 生成 4,5-bis(p-acetoxybenzylsulfanyl)-4',5'-ethylenedisulfanyltetrathiafulvalene
  参考文献：
  名称：

  Gemmell, Colin; Janairo, Gerardo C.; Kilburn, Jeremy D., Journal of the Chemical Society. Perkin transactions I, 1994, # 19, p. 2715 - 2720

  摘要：

  DOI：

文献信息

• Preparation and properties of C8H4S8-platinum(II) complexes and electrical conductivities of their oxidized species and X-ray crystal structure of C8H4S8(CH2CH2CN)2 as a pro-ligand compound
  作者：Motohiro Nakano、Akira Kuroda、Hatsue Tamura、Ryuichi Arakawa、Gen-etsu Matsubayashi

  DOI：10.1016/s0020-1693(98)00103-0

  日期：1998.10

  Using the C8H4S82- ligand [2-(4,5-ethylenedithio)-1,3-dithiole-2-ylidiene}-1,3-dithiole-4,5-dithionate(2-)] as an extended pi-electron system, [NBu4n](2) [Pt(C8H4S8)(2)] and Pt(Et2S)(2)(C8H4S8) were prepared. They were oxidized by the ferrocenium, the decamethylferrocenium cation or iodine to form [NBu4n](x)[Pt(C8H4S8)(2)] (x = 0.05-0.4) and Pt(C8H4S8) (Et2S)(0.3)I-1.8, which exhibited electrical conductivities of 1.1-6.9 S cm(-1), measured for compacted pellets at room temperature. The crystal structure of the pro-ligand compound, C8H4S8(CH2CH2CN)(2), revealed a one-dimensional array of dimerized molecules constructed with some sulfur-sulfur non-bonded contacts. (C) 1998 Published by Elsevier Science S.A. All rights reserved.
• Extended bisdithiolene metal complexes: preparation and electrical conductivities of [M(C8H4S8)2] anion complexes (M = Ni(II), Pt(II), Au(III))
  作者：Motohiro Nakano、Akira Kuroda、Gen-etsu Matsubayashi

  DOI：10.1016/s0020-1693(96)05145-6

  日期：1997.1

  A precursor compound of the new dithiolato ligand with an extended pi-electron system, C8H4S82- (2-[(4,5-ethylenedithio)-1,3-dithiole-2-ylidene]-1,3-dithiole-4,5-dithiolate) , was synthesized. [NBu(4)(n)] [Au(C8H4S8)(2)], [NBu(4)(n)](0.06)[Au(C8H4S8)(2)], Na-1.5[Ni(C8H4S8)(2)] and [NBu(4)(n)](0.4)[Pt(C8H4S8)(2)] were prepared. The partially oxidized species exhibit electrical conductivities of 0.2-17 S cm(-1) ' at room temperature as compacted pellets. The redox potentials of the gold( III) complex were determined. IR, electronic absorption and powder reflectance spectra of the complexes as well as the X-ray photoelectron spectra are discussed.
• Gemmell, Colin; Janairo, Gerardo C.; Kilburn, Jeremy D., Journal of the Chemical Society. Perkin transactions I, 1994, # 19, p. 2715 - 2720
  作者：Gemmell, Colin、Janairo, Gerardo C.、Kilburn, Jeremy D.、Ueck, Henning、Underhill, Allan E.

  DOI：——

  日期：——
• Gemmell Colin, Janairo Gerardo C., Kilburn Jeremy D., Ueck Henning, Under+, J. Chem. Soc. Perkin Trans. 1, (1994) N 19, S 2715-2720
  作者：Gemmell Colin, Janairo Gerardo C., Kilburn Jeremy D., Ueck Henning, Under+

  DOI：——

  日期：——