Dicesium 1,3-dithiole-2-thione-4,5-dithiolate | 147629-02-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 杂芳族化合物
• 英文名称: Dicesium 1,3-dithiole-2-thione-4,5-dithiolate
• 英文别名: cesium 1,3-dithiole-2-thione-4,5-dithiolate；cesium isotrithionedithiolate；[Cs₂(1,3-dithiole-2-thione-4,5-dithiolate)]；Cs2Dmit
• CAS: 147629-02-5
• 化学式: C₃S₅*2Cs
• 分子量: 462.174
• InChiKey: XASQJPQRIVRPCB-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  -0.65
• 重原子数：
  9.0
• 可旋转键数：
  0.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  0.0
• 氢给体数：
  0.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  二氯二茂钛 、 Dicesium 1,3-dithiole-2-thione-4,5-dithiolate 以 二氯甲烷 为溶剂， 以80%的产率得到bis(η5-cyclopentadienyl)-(2-thioxo-1,3-dithiol-4,5-dithiolato)-titanium(IV)
  参考文献：
  名称：

  Zeltner, S.; Dietzsch, W.; Olk, Ruth-Maria, Zeitschrift fur Anorganische und Allgemeine Chemie

  摘要：

  DOI：
• 作为产物：
  描述：

  4,5-双(苯甲酰硫基)-1,3-二硫杂环戊烯-2-硫酮 在 cesium hydroxide 作用下， 生成 Dicesium 1,3-dithiole-2-thione-4,5-dithiolate
  参考文献：
  名称：

  Becher, Jan; Hansen, Thomas K.; Joergensen, Tine, Bulletin des Societes Chimiques Belges, 1992, vol. 101, # 7, p. 555 - 568

  摘要：

  DOI：

文献信息

• Functionalised tetrathiafulvalene (TTF) systems derived from 4,5-(propylenedithio)-1,3-dithiole units
  作者：Gary J. Marshallsay、Martin R. Bryce、Graeme Cooke、Tine Jørgensen、Jan Becher、Colin D. Reynolds、Stephen Wood

  DOI：10.1016/s0040-4020(01)80428-2

  日期：1993.7

  A range of functionalised symmetrical and unsymmetrical tetrathiafulvalene (TTF) derivatives containing substituted 4,5-(propylenedithio)-1,3-dithiole units has been prepared. Key half-units are the t-butyldiphenylsilyl-protected 1,3-dithiole derivative 18 and the ketal-protected derivative 32. Self-coupling and cross-coupling reactions of these half-units, with 1,3-dithiole-2-one and -2-thione derivatives

  制备了一系列含有取代的4,5-（丙烯二硫基）-1,3-二硫醇单元的官能化对称和不对称四硫富瓦烯（TTF）衍生物。关键的半单元是叔丁基二苯基甲硅烷基保护的1,3-二硫醇衍生物18和缩酮保护的衍生物32。在亚磷酸三乙酯的存在下，这些半单元与1,3-二硫代-2-酮和-2-硫酮衍生物19-22的自偶联和交叉偶联反应发生。脱保护后，TTF衍生物14，24，28，34和40-43中，获得轴承羟基或酮官能团。14，24和28的一个或多个醇基团的官能化用酰氯和异氰酸酯已经获得了化合物16、17、25、26和29。循环伏安研究表明，新的TTF衍生物是有效的π电子供体。它们经历了两个可逆的单电子氧化还原波。4,5-（2-羟基丙烯二硫基）-1,3-二硫基-2-硫酮3和缩酮蛋白的X射线晶体结构
• Formation of indium(III) 1,3-dithiole-2-thione-4,5-dithiolate anions, [In(dmit) 2 ] 1− and [In(dmit)] 3− . Crystal structure of Cs[In(dmit) 2 ]: Strong cation–anion interactions
  作者：Nadia M. Comerlato、Glaucio B. Ferreira、Vinicius C. de Paula、James L. Wardell、Solange M.S.V. Wardell

  DOI：10.1016/j.ica.2014.08.021

  日期：2014.11

  [Na] 2 [dmit]:QX (X = halide):InCl 3 of 2:1:1. However, using [Cs] 2 [dmit] with the same addition sequence of reagents and a similar mole ratio of reagents, mixed cation salts, [Q] y [Cs] 1− y [In(dmit) 2 ] (e.g., Q, y = NBu 4 , 0.323; PPh 4 , 0.437), were isolated. Tris(dmit) salts, [In III (dmit) 3 ] 3 − , were invariably obtained using reagent mole ratios of [Cs] 2 [dmit]:[Q]X:InCl 3 = 3:3:1 in MeOH

  摘要以[Na] 2 [dmit]和[Cs] 2 [dmit]作为dmit源，制备[In III（dmit）n] m-（m，n = 1,2或3,3）盐的方法是报道的（[dmit] 2-＝ 1，3-二硫代-2-硫酮-4，5-二硫代）。表征通常通过元素分析和红外光谱来实现。通常使用[Na] 2 [dmit]：QX（X =卤化物）：InCl 3的摩尔比获得[Q] [In III（dmit）2]（Q = NMe 4，PPh 4和AsPh 4）化合物。 2：1：1。但是，使用具有相同试剂添加顺序和相似摩尔比的[Cs] 2 [dmit]，混合阳离子盐，[Q] y [Cs] 1-y [In（dmit）2]（例如，Q ，y ＝ NBu 4，0.323； PPh 4，0.437）。使用[Cs] 2 [dmit]：[Q] X：InCl 3 = 3：3：1的试剂摩尔比，在MeOH溶液中始终获得三（dmit）盐[In
• 4,5-Bis[(triorganotin)thiolato]-1,3-dithiole-2-thione, (R3Sn)2(dmit), 4,5-bis[(triorganotin)thiolato]-1,3-dithiole-2-one, (R3Sn)2(dmio), compounds: Crystal structures of (cyclohexyl3Sn)2(dmio), (Ph3Sn)2(dmit) and (Ph3Sn)2(dmio)
  作者：Jairo Bordinhão、Nadia M. Comerlato、Glaucio B. Ferreira、R. Alan Howie、Carolina X.A. da Silva、James L. Wardell

  DOI：10.1016/j.jorganchem.2005.10.035

  日期：2006.4

  and 24.7 Hz. The δ119 Sn values for (1: R = Ph) and (2: R = Ph) differ by about 30 ppm, values being −20.7 and −50.1 ppm, respectively, in CDCl3 solution. X-ray structure determinations for (1: R = Ph) and (2: R = Ph or Cy) reveal the compounds to have 4-coordinate, distorted tetrahedral tin centres. The dithiolato ligands, dmit and dmio, act as bridging ligands, in contrast to their chelating roles

  4,5-双[（三有机锡）硫醇] -1,3-二硫代-2-硫酮，（R 3 Sn）2（DMIt），1和4,5-双[（三有机锡）]的合成和晶体结构据报道有硫醇基] -1，3-二硫醇-2-酮（R 3 Sn）2（DMIo）2的化合物。化合物（1或2：R = Ph或环己基，Cy）是由R 3 SnCl与Cs 2 DMIt或Na 2 DMIo反应制得的。两个锡中心在存在（2：R = PH）被示出在13 C NMR光谱通过两者的Sn原子的联轴器与DMIO烯碳Ĵ值29.4和24.7 Hz。的δ 119（用户需要Sn值1：R = PH）和（2：R = PH）由约30ppm分别不同，值是-20.7和-50.1 ppm的，在CDCl 3溶液中。（1：R = Ph）和（2：R = Ph或Cy）的X射线结构测定表明该化合物具有4坐标，扭曲的四面体锡中心。与它们在R 2 Sn（DMIt）和R 2 Sn（DMIo）中的螯合作
• Syntheses of bis(organomercury)1,3-dithiole-2-thione-4,5-dithiolates and related compounds: Crystal structure of bis(phenylmercury)1,3-dithiole-2-one-4,5-dithiolate
  作者：Carolina X. Martins、Glaucio B. Ferreira、R. Alan Howie、Jairo Bordinhão、Nadia M. Comerlato、James L. Wardell、Solange M.S.V. Wardell

  DOI：10.1016/j.ica.2014.12.037

  日期：2015.4

  The syntheses, IR and UV spectra and thermal analysis are reported of the organomercury 1,2-dithiolates, bis-(organomercury) 1,3-dithiole-2-thione-4,5-dithiolates [(RHg)(2)(dmit)], 1,3-dithiole-2-one-4,5-dithiolates [(RHg)(2)(dmio)], and 1,2-dithiole-3-thione-4,5-dithiolates [(RHg)(2)(dmt)], (R = Me or Ph). As shown by TGA, the onset of thermal decomposition occurs in all cases below 160 degrees C: in each case, thermal decomposition occurs in various stages with loss of R2Hg. A single crystal structure determination of [(PhHg)(2)(dmio)] revealed the presence of centrosymmetric dimeric units, which are linked via (SS)-S-..., p(...)p and Hg(...)p into a layered structure. Within the dimer, there are two distinct "T'' shaped Hg(II) environments: Hg1 is asymmetrically chelated to the dmio ligand with bond lengths Hg1-S1 and Hg1-S2 = 2.3813(13) and 2.9315(12) angstrom and with a chelate bite angle of 84.17(4) and a near linear S1-Hg1-C11 bond angle of 172.30(13)degrees. Atom, Hg2, is bonded to a single thiolato atom, S2, of one dmio ligand [Hg2-S2 = 2.3853(12)] and to the carbonyl oxygen of the other dmio unit in the dimer: [ Hg2-O1 = 2.738(4)angstrom], with bond angles 171.23(16)degrees , 97.53(9)degrees and 91.05(17)degrees, respectively for S2-Hg2-C21, S2-Hg2-O1 and C21-Hg2-O1. All the compounds appear polymeric and are poorly soluble in organic solvents. (C) 2015 Elsevier B.V. All rights reserved.
• A Unique Approach to Metal-Induced Bergman Cyclization: Long-Range Enediyne Activation by Ligand-to-Metal Charge Transfer
  作者：Sibaprasad Bhattacharyya、Maren Pink、Mu-Hyun Baik、Jeffrey M. Zaleski

  DOI：10.1002/anie.200461825

  日期：2005.1.14