bis<4-oxa-2,6,8,10-tetrathiabicyclo<5.3.0>dec-1(7)-en-9-ylidene> | 104825-71-0

• 分子结构分类: 有机化合物 - 有机硫化合物
• 英文名称: bis<4-oxa-2,6,8,10-tetrathiabicyclo<5.3.0>dec-1(7)-en-9-ylidene>
• 英文别名: bistetrathiafulvalene；bis(2-oxa-1,3-propylendithio)tetrathiafulvalene；bis(2-oxatrimethylenedithio)-tetrathiafulvalene；bis(3-oxa-1,5-dithiapentano)tetrathiafulvalene；Bis(oxapropylenedithio-tetrathiafulvalene)；bis(oxapropylenedithio)tetrathiafulvalene；2-([1,3]dithiolo[4,5-d][1,3,6]oxadithiepin-2-ylidene)-[1,3]dithiolo[4,5-d][1,3,6]oxadithiepine
• CAS: 104825-71-0
• 化学式: C₁₀H₈O₂S₈
• 分子量: 416.7
• InChiKey: BRXQUJYCRMQQKN-UHFFFAOYSA-N

物化性质

• 熔点：
  260-262 °C
• 沸点：
  554.5±50.0 °C(Predicted)
• 密度：
  1.87±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  6.15
• 重原子数：
  20.0
• 可旋转键数：
  0.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  18.46
• 氢给体数：
  0.0
• 氢受体数：
  10.0

反应信息

• 作为反应物：
  描述：

  bis<4-oxa-2,6,8,10-tetrathiabicyclo<5.3.0>dec-1(7)-en-9-ylidene> 在 碘 作用下， 以 硝基苯 为溶剂， 生成 Bis(oxapropylenedithio-tetrathiafulvalene) pentaiodide
  参考文献：
  名称：

  Crystal structure of (BOPDT-TTF)+I 5 − :C10H8O2I5S8

  摘要：

  DOI：

  10.1007/bf02578348
• 作为产物：
  描述：

  4-oxa-2,6,8,10-tetrathiabicyclo<5.3.0>decane-8,10-dithiolium fluoroborate 在 三乙胺 作用下， 以 乙腈 为溶剂， 以88%的产率得到bis<4-oxa-2,6,8,10-tetrathiabicyclo<5.3.0>dec-1(7)-en-9-ylidene>
  参考文献：
  名称：

  Abashev, G. G.; Russkikh, V. S., Journal of Organic Chemistry USSR (English Translation), 1987, vol. 23, # 7, p. 1411 - 1412

  摘要：

  DOI：

文献信息

• Synthesis and Properties of Bis[oxybis(methylenethio)]tetrathiafulvalene and Its Sulfur Analog: π-Donors for Organic Metals
  作者：Harald Müller、Yoshinobu Ueba

  DOI：10.1246/bcsj.66.1773

  日期：1993.6

  Bis[oxybis(methylenethio)]tetrathiafulvalene (BOBMT-TTF) and bis[thiobis(methylenethio)]tetrathiafulvalene (BTBMT-TTF) were synthesized in two steps starting from 1,3,4,6-tetrathiapentalene-2,5-dione. The electrochemical and donor properties of both compounds are discussed. BOBMT-TTF forms a highly conducting charge transfer complex with TCNQ (σRT 10 S cm−1).

  Bis[oxybis(methylenethio)]tetrathiafulvalene (BOBMT-TTF) 和双 [thiobis(methylenethio)]tetrathiafulvalene (BTBMT-TTF) 从 1,3,4,6-tetrathiapentalene-2,5-dione 开始分两步合成。讨论了两种化合物的电化学和供体性质。BOBMT-TTF 与 TCNQ (σRT 10 S cm-1) 形成高度导电的电荷转移复合物。
• Unsymmetrically Substituted Ethylenedioxytetrathiafulvalenes
  作者：Takehiko Mori、Hiroo Inokuchi、Aravinda M. Kini、Jack M. Williams

  DOI：10.1246/cl.1990.1279

  日期：1990.8

  Seven new electron donors, 4,5-ethylenedioxytetrathiafulvalenes where 4′,5′-substituents are trimethylenedithio, ethylenedithio, methylenedithio, 2-oxatrimethylenedithio, methylthio, hydrogen and methyl carboxylate, are prepared, and their electrochemical properties are investigated.

  制备了七种新的电子供体--4,5-亚乙二氧基四硫杂戊烯，其中 4′,5′-取代基为三亚甲基二硫、亚乙基二硫、亚甲基二硫、2-氧杂三亚甲基二硫、甲硫基、氢和羧酸甲酯。
• Synthesis of 4,5-Ethylenedithio-4′,5′-(2-oxatrimethylenedithio)tetrathiafulvalene (EOTT) and Electrical Conductivities of Their Ion-Radical Salts
  作者：Hideyuki Nakano、Kazuyori Yamada、Takashi Nogami、Yasuhiko Shirota、Akihito Miyamoto、Hayao Kobayashi

  DOI：10.1246/cl.1990.2129

  日期：1990.11

  molecule (EOTT), which is a new unsymmetrical TTF derivative, was synthesized, and several ion-radical salts of EOTT were prepared by electrochemical crystallization. Room temperature conductivities of these salts were found to be in the range of 10−1–102 S cm−1. Among them, EOTT2IBr2 and EOTT2AuI2 showed metallic behavior in electrical conduction down to ca. 15 and 4.2 K, respectively.

  合成了一种新的不对称TTF衍生物标题分子(EOTT)，并通过电化学结晶制备了EOTT的几种离子自由基盐。发现这些盐的室温电导率在 10-1-102 S cm-1 的范围内。其中，EOTT2IBr2 和 EOTT2AuI2 在电传导中表现出金属行为。分别为 15 和 4.2 K。
• Synthesis and crystal structure of bis(oxapropylenedithio)tetrathiafulvalene hexafluorophosphate
  作者：R. S. Medne、V. Yu. Khodorkovskii、O. Ya. Neiland、M. Z. Aldoshina、L. M. Gol'denberg、R. N. Lyubovskaya、T. G. Takhirov、O. A. D'yachenko、L. O. Atovmyan

  DOI：10.1007/bf00953723

  日期：1989.1
• New electron donor ? Bis(3-oxy-1,5-dithiapentano)tetrathiafulvalene
  作者：V. S. Russkikh、G. G. Abashev

  DOI：10.1007/bf00479364

  日期：1987.11