4-methylethylenedithio-1,3-dithiole-2-one | 118148-18-8

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 4-methylethylenedithio-1,3-dithiole-2-one
• 英文别名: 4,5-(propylenedithio)-1,3-dithiol-2-one；1,3-Dithiolo[4,5-b][1,4]dithiin-2-one, 5,6-dihydro-5-methyl-；5-methyl-5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-one
• CAS: 118148-18-8
• 化学式: C₆H₆OS₄
• 分子量: 222.377
• InChiKey: QVNLBDIQCOVMAW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  11
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  118
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  4-methylethylenedithio-1,3-dithiole-2-one 在 lithium bromide 、 三甲氧基磷 作用下， 以 六甲基磷酰三胺 、 苯 为溶剂， 反应 4.25h， 生成 2-[1,3]Dithiol-2-ylidene-5-methyl-5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiine
  参考文献：
  名称：

  Papavassiliou, G.C.; Zambounis, J.S.; Mousdis, G.A., Molecular Crystals and Liquid Crystals (1969-1991), 1988, vol. 156, p. 269 - 276

  摘要：

  DOI：

文献信息

• Pyrazino-methyl-ethylenedithio- tetrathiafulvalene, Precursor o τ-Phase Conductors
  作者：G. C. Papavassiliou、A. Terzis、C. P. Raptopoulou

  DOI：10.1515/znb-2001-0916

  日期：2001.9.1

  Modifications of the previously reported meth­ods of preparation of racemic pyrazino-methyl-ethylenedithio-tetrathiafulvalene, i.e., 2-(5,6-dihy-dro-5-methyl-1,3-dithiolo[4,5-b][1,4]dithiin-2-ylidene)-1,3-dithiolo[4,5-b]pyrazine, and their cat­ ion radical salts with linear counter anions are re­ ported. ESR spectra and preliminary X-ray dif­ fraction measurements indicate that the salts crystallize in the τ-phase (tetragonal system).

  报道了制备外消旋吡嗪基甲基乙烯二硫富瓦烯的先前报告方法的改进，即2-（5,6-二氢-5-甲基-1,3-二硫杂环[4,5-b][1,4]二硫烯-2-基）-1,3-二硫杂环[4,5-b]吡嗪及其与线性对离子反应得到的阳离子自由基盐。ESR光谱和初步的X射线衍射测量表明，盐结晶于τ相（四方晶系）。

• Tetrathiafulvalene derivative precursors, tetrathiafulvalene derivatives, and processes for producing them
  申请人：SUMITOMO ELECTRIC INDUSTRIES, LTD

  公开号：EP0590539A2

  公开（公告）日：1994-04-06

  (Object) To provide a process for producing a high-purity tetrathiafulvalene derivative in a high yield, and novel tetrathiafulvalene derivatives and their precursors. (Constitution) The process for production comprises selectively cleaving one of the two rings of 1,3,4,6-tetrathiapentalene-2,5-dione to produce 1,3-dithiol-2-one-4,5-dithiolate dianion, and after reacting it with a compound having a monovalent or divalent organic group, effecting coupling of two molecules thereof. Novel tetrathiafulvalene derivatives and their precursors are represented by formulae (1) to (6) described in the specification.

  (目的）提供一种高产率生产高纯度四硫杂戊烯衍生物的工艺，以及新型四硫杂戊烯衍生物及其前体。 (Constitution) 该生产工艺包括选择性地裂解 1,3,4,6-四硫杂戊烯-2,5-二酮的两个环中的一个环，生成 1,3-二硫醇-2-酮-4,5-二硫酸盐二元离子，然后与具有一价或二价有机基团的化合物反应，使其两个分子偶联。本说明书中所述的式 (1) 至 (6) 代表新型四硫代富勒烯衍生物及其前体。
• Multi-sulfur π-donors and π-acceptors and a few of their charge transfer complexes
  作者：G.C. Papavassiliou、J.S. Zambounis、S.Y. Yiannopoulos

  DOI：10.1016/0378-4363(86)90125-7

  日期：1986.11
• Synthesis and properties of catechol-fused tetrathiafulvalene derivatives and their hydrogen-bonded conductive charge-transfer salts
  作者：Hiromichi Kamo、Akira Ueda、Takayuki Isono、Kazuyuki Takahashi、Hatsumi Mori

  DOI：10.1016/j.tetlet.2012.06.020

  日期：2012.8

  Catechol-fused tetrathiafulvalene (TIT) derivatives have been designed and synthesized as a new type of pi-electron donor molecules having two phenolic hydroxyl groups. Cyclic voltammetry measurements and quantum chemical calculations demonstrated the electronic effect of the direct fusion of the catechol unit to the TTF pi-skeleton. In the charge-transfer (CT) salts with bromide or chloride anions, a one-dimensional hydrogen-bonded chain was formed by the intermolecular OH center dot center dot center dot X network between the catechol moieties and the halide anions. The slight dissimilarity of the hydrogen-bond distances for the two CT salts gave rise to the significant differences in their overall molecular arrangements and intermolecular interactions as well as the electrical resistivities. (c) 2012 Elsevier Ltd. All rights reserved.
• PAPAVASSILIOU, G. C.;KAKOUSSIS, V. C.;MOUSDIS, G. A.;ZAMBOUNIS, J. S.;MAY+, CHEM. SCR., 29,(1989) N, C. 71-73
  作者：PAPAVASSILIOU, G. C.、KAKOUSSIS, V. C.、MOUSDIS, G. A.、ZAMBOUNIS, J. S.、MAY+

  DOI：——

  日期：——