2-(4,5-bis(methylthio)1,3-dithiol-2-ylidine)-5,6-dihydro(1,3)dithiolo(4,5-b)1,4-dithiin | 96521-11-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二硫醇
• 英文名称: 2-(4,5-bis(methylthio)1,3-dithiol-2-ylidine)-5,6-dihydro(1,3)dithiolo(4,5-b)1,4-dithiin
• 英文别名: bis(methylthio)ethylenedithiotetrathiafulvalene；4,5-ethylenedithio-4',5'-bis(methylthio)tetrathiafulvalene；C1Tet-ttf；2-[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiine
• CAS: 96521-11-8
• 化学式: C₁₀H₁₀S₈
• 分子量: 386.717
• InChiKey: OUJNVFXQRLVHAD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.2
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  202
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  7,7,8,8-四氰基对苯二醌二甲烷 、 2-(4,5-bis(methylthio)1,3-dithiol-2-ylidine)-5,6-dihydro(1,3)dithiolo(4,5-b)1,4-dithiin 生成 2-[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiine;2-[4-(dicyanomethylidene)cyclohexa-2,5-dien-1-ylidene]propanedinitrile
  参考文献：
  名称：

  TATEMITSU, HITOSHI;NISHIKAWA, ETSUSHI;SAKATA, YOSHITERU;MISUMI, SOICHI, J. CHEM. SOC. CHEM. COMMUN., 1985, N 3, 106-107

  摘要：

  DOI：
• 作为产物：
  描述：

  4,5-双(甲硫代)-1,3-二硫杂环戊烯-2-酮 在 sodium ethanolate 、 亚磷酸三乙酯 作用下， 以 甲苯 为溶剂， 生成 2-(4,5-bis(methylthio)1,3-dithiol-2-ylidine)-5,6-dihydro(1,3)dithiolo(4,5-b)1,4-dithiin
  参考文献：
  名称：

  合成不对称叔丁基硫代烷基四硫富瓦烯衍生物的直接方法

  摘要：

  所述p -acetoxybenzylthio保护基团已被发现为与亚磷酸三乙酯兼容的4,5- dialkylthio丙烷-1,3-二硫醇-2-酮介导的交叉偶联到tetrathiolate提供访问5，以及dithiolates 11A和11B，它们是不对称四氢烷基四硫富瓦烯衍生物的优异前体。

  DOI：

  10.1016/s0040-4039(00)74820-9

文献信息

• Synthesis of unsymmetrical tetrathiafulvalenes and electrical conductivities of their tetracyanoquinodimethane complexes
  作者：Hitoshi Tatemitsu、Etsushi Nishikawa、Yoshiteru Sakata、Soichi Misumi

  DOI：10.1039/c39850000106

  日期：——

  The preparation of some unsymmetrical tetrathiafulvalenes and the electrical conductivities of their charge transfer complexes with tetracyanoquinodimethane (TCNQ) are described; the ethylenedithio(trimethylene)tetrathiafulvalene–TCNQ complex exhibited higher conductivity than complexes of tetrathiafulvalene, tetramethyltetrathia-fulvalene, and hexamethylenetetrathiafulvalene with TCNQ.

  描述了一些不对称四硫富瓦烯的制备及其与四氰基喹二甲烷（TCNQ）的电荷转移配合物的电导率；乙二硫（三亚甲基）四硫富瓦烯-TCNQ配合物比四硫富瓦烯，四甲基四硫富瓦烯和六亚甲基四硫富瓦烯与TCNQ的配合物具有更高的电导率。
• (2-Methylidene-1,3-dithiolo[4,5-d])tetrathiafulvalene (DT-TTF): new unsymmetrical TTFs condensed with 1,3-dithiol-2-ylidene moieties
  作者：Yohji Misaki、Hiroyuki Nishikawa、Hideki Fujiwara、Kazuya Kawakami、Tokio Yamabe、Hideki Yamochi、Gunzi Saito

  DOI：10.1039/c39920001408

  日期：——

  The synthesis and properties of the unsymmetrical tetrathiafulvalenes condensed with 1,3-dithiol-2-ylidene moieties are described; the electrical properties of several cation radical salts are also presented.

  介绍了与 1,3-二硫醇-2-亚基缩合的非对称四硫富戊烯的合成和特性；还介绍了几种阳离子基盐的电学特性。
• Magnetic Properties of Mixed Triangle-Based Ladder Magnets (C₁TET-TTF)(FeBr₄)_{1 -<i>x</i>}(FeCl₄)_<i>x</i> (C₁TET-TTF: 4,5-Ethylenedithio-4′,5′-bis(methylthio)tetrathiafulvalene)
  作者：Masaya Enomoto、Akira Miyazaki、Toshiaki Enoki

  DOI：10.1246/bcsj.74.459

  日期：2001.3

  Isostructural magnets (C1TET-TTF)FeX4 (X = Br, Cl) are featured with a triangle-based ladder lattice comprised of an Fe3+ zigzag chain where a donor dimer bridges between next nearest neighboring Fe3+ sites. The FeCl4- salt is an antiferromagnet with its easy axis tilted from the ladder sheet, the FeBr4- salt shows weak ferromagnetism, with the easy axis of its antiferromagnetic behavior lying on the sheet. We investigate the magnetic properties of mixed crystal (C1TET-TTF)(FeBr4)1 - x (FeCl4)x in order to reveal the origin of the differences in magnetism. The strengths of the exchange interactions varying with x can be understood on the basis of the inter-anion/donor atomic contact lengths in the crystal. Weak ferromagnetism survives with its easy axis tilted from the sheet in the concentration region x ≈ 0.2. Then weak ferromagnetism disappears above x ≥ 0.42. In the high concentration range x ∼ 0.4-0.8, the ordered state deviates from an ordinary antiferromagnet, due to the competition between two constituent exchange interactions. However, the possibility of a spiral spin which configuration theory predicts is not conclusive. The magnetic anisotropy, whose direction varies depending on x, is a consequence of the competition between the dipole-dipole interaction and the single-ion anisotropy.

  等结构磁体 (C1TET-TTF)FeX4 (X = Br, Cl) 具有基于三角形的梯形晶格，该晶格由 Fe3+ 之字链组成，其中一个供体二聚体桥接在下一个最近的相邻 Fe3+ 位点之间。FeCl4- 盐是一种反铁磁体，其易轴与阶梯片倾斜；FeBr4- 盐显示出弱铁磁性，其反铁磁行为的易轴位于片上。我们研究了混合晶体 (C1TET-TTF)(FeBr4)1 - x (FeCl4)x 的磁性，以揭示磁性差异的根源。交换相互作用的强度随 x 的变化而变化，这可以根据晶体中阴离子/阳离子间的原子接触长度来理解。在浓度 x ≈ 0.2 的区域，弱铁磁性在其易轴与薄片倾斜的情况下仍然存在。然后，在 x ≥ 0.42 以上，弱铁磁性消失。在 x ≥ 0.4-0.8 的高浓度范围内，有序态偏离了普通的反铁磁体，这是由于两个组成交换相互作用之间的竞争造成的。然而，构型理论预测的螺旋自旋的可能性并不确定。磁各向异性的方向随 x 的变化而变化，这是偶极-偶极相互作用和单离子各向异性之间竞争的结果。
• An Air-induced Synthesis of a Salt [AuCl₂(DDDT)](MET-TTF) (DDDT = 5,6-Dihydro-1,4-dithiin-2,3-dithiolate, MET-TTF = Bis(methylthio)ethylenedithiotetrathiafulvalene)
  作者：Wei Yang、Zhi-Gang Ren、Guo-Qing Bian、Qin-Yu Zhu、Jie Dai

  DOI：10.1515/znb-2010-1014

  日期：2010.10.1

  Reaction of Au(PPh₃)Cl with MET-TTF in the presence of air resulted in a new charge-transfer salt [AuCl₂(DDDT)](MET-TTF) (1, DDDT = 5,6-dihydro-1,4-dithiin-2,3-dithiolate, MET-TTF = bis(methylthio)ethylenedithiotetrathiafulvalene). During the air-induced reaction, the Au(I) is oxidized to Au(III), while two C-S bonds in MET-TTF were cleaved simultaneously. In the crystal the radical cations in 1 are assembled into a 1D structure by intermolecular S・ ・ ・ S, S・ ・ ・C, and C・ ・ ・C contacts.

  Au(PPh3)Cl与MET-TTF在空气存在下反应，生成了一种新的电荷转移盐[AuCl2(DDDT)](MET-TTF)（1，DDDT = 5,6-二氢-1,4-二硫杂环戊二烯-2,3-二硫酸盐，MET-TTF = 双(甲硫基)乙烯二硫代四硫富瓦烯）。在空气诱导的反应过程中，Au(I)被氧化为Au(III)，同时MET-TTF中的两个C-S键被同时断裂。在晶体中，1中的自由基阳离子通过分子间的S・ ・ ・ S，S・ ・ ・ C和C・ ・ ・ C接触组装成一维结构。
• Disorder in the commensurate intergrowth compound<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">C</mml:mi></mml:mrow><mml:mrow><mml:mn>1</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math>TET-TTF(<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">AuI</mml:mi></mml:mrow><mml:mrow><mml:mn>2</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math><mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mo>)</mml:mo></mml:mrow><mml:mrow><mml:mn>0.8</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math>
  作者：H.-J. Lamfers、A. Meetsma、Sander van Smaalen、J. L. de Boer、K. Huml

  DOI：10.1103/physrevb.50.15697

  日期：——