disodium 2-oxo-1,3-dithiole-4,5-dithiolate | 126495-71-4

• 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: disodium 2-oxo-1,3-dithiole-4,5-dithiolate
• 英文别名: [Na₂(1,3-dithiole-2-one-4,5-dithiolate)]
• CAS: 126495-71-4
• 化学式: C₃OS₄*2Na
• 分子量: 226.276
• InChiKey: BRMRPOYFPGTOBK-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  -2.01
• 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：
  17.07
• 氢给体数：
  0.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  氯化甲基汞 、 disodium 2-oxo-1,3-dithiole-4,5-dithiolate 以 甲醇 、 氯仿 为溶剂， 反应 3.0h， 生成 [(MeHg)₂(1,3-dithiole-2-one-4,5-dithiolate)]
  参考文献：
  名称：

  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

  摘要：

  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.

  DOI：

  10.1016/j.ica.2014.12.037
• 作为产物：
  描述：

  1,3,4,6-四硫并环戊烯-2,5-二酮 在 sodium t-butanolate 作用下， 以 甲醇 为溶剂， 反应 2.0h， 以89%的产率得到disodium 2-oxo-1,3-dithiole-4,5-dithiolate
  参考文献：
  名称：

  一种含有双齿硫配体鳌合的钌卡宾烯烃复分解催化剂及其制备方法和应用

  摘要：

  本发明提供了一种含有双齿硫配体鳌合的钌卡宾烯烃复分解催化剂，其结构式为：并且公开了其制备方法和应用，制备方法简单，得到的烯烃复分解催化剂具有优异的催化活性和立体选择性，并且结构稳定性高，应用于降冰片烯ROMP反应，具有较高的收率和较好Z‑选择性。

  公开号：

  CN110563769B

文献信息

• Synthesis of annelated bis-crownethers.
  作者：Kim Christiansen、Jan Becher、Thomas Kruse Hansen

  DOI：10.1016/s0040-4039(00)79593-1

  日期：1992.5

  Symmetrical or unsymmetrical annelated bis-crownethers are prepared via the stepvise reaction of disodium-1,3-dithole-2-thione-4,5-dithiolate with a bis-alkylating reagent, BrCH2(CH2OCH2)nCH2Br.

  对称或不对称的退火双冠醚是通过1,3-二孔-2-硫代-4,5-二硫代二钠二钠与双烷基化试剂BrCH 2（CH 2 OCH 2）n CH 2 Br的逐步反应制备的。
• Syntheses and electrochemical characterization of heteroleptic cyclopentadienyl–dithiolene d2 tungsten complexes. Structures and magnetic properties of charge-transfer salts †
  作者：Isabelle V. Jourdain、Marc Fourmigué、Fabrice Guyon、Jacques Amaudrut

  DOI：10.1039/a706495k

  日期：——

  Novel diamagnetic tungsten(IV) complexes of general formula W(η-C5H4R)2(dithiolene) [R = H, SiMe3 or But; dithiolene = C3S52– (4,5-disulfanyl-1,3-dithiole-2-thionate), C3OS42– (4,5-disulfanyl-1,3-dithiole-2-onate) or dddt2– (5,6-dihydro-1,4-dithiine-2,3-dithiolate)] have been synthesized and their redox properties investigated by cyclic voltammetry. Two reversible oxidation waves are observed for each complex. The redox half-wave potentials allow [W(cp)2(dddt)] (cp = η-C5H5) to react with the organic acceptor tcnq (tetracyanoquinodimethane) while the C3S52– and C3OS42– compounds reduce tcnqf4 (7,7,8,8-tetracyano-1,2,4,5-tetrafluoroquinodimethane). X-Ray crystallographic studies were carried out on [W(cp)2(dddt)]˙+[tcnq]˙– and [W(η-C5H4But)2(C3S5)]˙+[tcnqf4]˙–. The structural analyses and extended-Hückel calculations showed that the radical anions are strongly dimerised into diamagnetic moieties. The cations form centrosymmetrical dimers and exhibit antiferromagnetic interactions, as deduced from the temperature dependence of the magnetic susceptibility, with T(χmax) = 18 and 22 K for [W(cp)2(dddt)]˙+[tcnq]˙– and [W(η-C5H4But)2(C3S5)]˙+[tcnqf4]˙– respectively.

  新型抗磁性钨(IV)配合物，通式为W(δ-C5H4R)2(二硫烯) [R = H、SiMe3 或 But；二硫醇= 2−（4,5-二硫基-1,3-二硫醇-2-硫酸酯）、C3OS42−（4,5-二硫基-1,3-二硫醇-2-硫酸酯）或 dddt2−（5 ,6-二氢-1,4-二硫氨酸-2,3-二硫醇)]已被合成，并通过循环伏安法研究了它们的氧化还原性质。对于每个复合物观察到两个可逆氧化波。氧化还原半波电位允许 [W(cp)2(dddt)] (cp=π-C5H5) 与有机受体 tcnq（四氰基醌二甲烷）反应，而 2– 和 C3OS42– 化合物还原 tcnqf4 (7 ,7,8,8-四氰基-1,2,4,5-四氟醌二甲烷）。对 [W(cp)2(dddt)]Ë+[tcnq]Ëâ 和 [W(η-C5H4But)2(C3S5)]Ë+[tcnqf4] 进行 X 射线晶体学研究Ë。结构分析和扩展休克尔计算表明，自由基阴离子强烈二聚成抗磁性部分。阳离子形成中心对称二聚体并表现出反铁磁相互作用，正如从磁化率的温度依赖性推论的那样，对于 [W(cp)2(dddt)]Ë+[，T(δmax)= 18 和 22 K tcnq]Ëâ 和 [W(β-C5H4But)2( )]Ë+[tcnqf4]Ëâ 分别。
• Syntheses and electrochemical behaviour of novel dithiolatoniobium-(IV) and -(V) complexes with two η5-cyclopentadienyl rings
  作者：Fabrice Guyon、Jacques Amaudrut、Marie-France Mercier、Kunio Shimizu

  DOI：10.1016/0022-328x(94)87054-3

  日期：1994.2

  three niobium(IV) complexes, the reduction potential of the complex with dddt was notably less negative than those of the complexes with dmit or dmio. This fact allows the preparation of the charge-transfer complexes with TCNQ. The niobium(V) dmit and dmio complexes with two cyclopentadienyl rings were also isolated as iodide salts by the oxidation of the corresponding niobium(IV) complex. These NbV complexes

  合成了具有两个环戊二烯基环和dmit，dmio或dddt的新型铌（IV）配合物，并研究了它们在乙腈和二氯甲烷中的伏安行为。乙腈溶液中的这些配合物表现出可逆的单电子氧化步骤和可逆的单电子还原步骤，分别对应于铌（V）和铌（III），而没有任何复杂的副反应或后续反应。在三种铌（IV）络合物中，具有dddt的络合物的还原电位明显小于具有dmit或dmio的络合物的还原电位。这一事实使得可以制备具有TCNQ的电荷转移复合物。通过氧化相应的铌（IV）配合物，还分离出具有两个环戊二烯基环的铌（V）dmit和dmio配合物作为碘化物盐。这些铌V配合物给出了两个单电子还原步骤，其电势与Nb IV和Nb III的d（b）dmit和dmio配合物的电势相同。
• Synthesis, Characterization, and X-ray Crystal Structures of (Diphosphine)Ni(dmit) and (Diphosphine)Ni(dmio) (Diphosphine = dppv, dppb) Complexes
  作者：Yu-Long Li、Li-Ke Zou、Bin Xie、Xiao Lin、Sha-Sha Zhu

  DOI：10.1002/zaac.201300182

  日期：2013.8

  e (dppb)] gave (dppv)Ni(dmit) (1), (dppb)Ni(dmit) (2), (dppv)Ni(dmio) (3), and (dppb)Ni(dmio) (4). This synthesis route was found to be an efficient pathway to prepare dmit and dmio ligand complexes. Complexes, 1–4 were fully characterized by elemental analysis and IR, 1H NMR, 13C NMR, and 31P NMR spectroscopy. In addition, the molecular structures of 1, 3 and 4 were established by X-ray diffraction

  合成了四种具有配体 dmit 和 dmio 的复合物。(PhCO)2(dmit) 和 (PhCO)2(dmio) 与 MeONa 反应得到中间体 2-thioxo-1,3-dithiole-4,5-dithiolate dianion 和 2-oxo-1,3-dithiole-4 ,5-二硫醇二阴离子，分别。两个二价阴离子与 (diphosphine)NiCl2 [diphosphine = (Z)-1, 2-bis(diphenylphosphanyl)ethane (dppv), 1,2-bis(diphenylphosphanyl)benzo (dppb)] 反应得到 (dppv)Ni(dmit ) (1)、(dppb)Ni(dmit) (2)、(dppv)Ni(dmio) (3) 和 (dppb)Ni(dmio) (4)。发现该合成路线是制备 dmit 和 dmio 配体复合物的有效途径。通过元素分析和
• Einige ungewöhnliche Umsetzungen des Dinatrium-2-oxo-1,3-dithiol-4,5-dithiolats mit Biselektrophilen
  作者：Klaus Hartke、Frank Rauschen

  DOI：10.1002/prac.19973390103

  日期：——

  Reaction of disodium 2-oxo-1,3-dithiole-4,5-dithiolate (3) with dichloro-maleic anhydride (4), mucobromic acid (7) and its pseudoester 9 leads to the formation of the 1,3-dithiolo[4,5-b]-1,4-dithiins 6, 8 and 10. 3 condenses with cis-3,5-dibromo-cyclopentene (15) to yield the tricyclic compounds 16 and 17. 3 is silylated by trimethylsilyltriflate (19) to give the unstable bis(trimethylsilyl)-thioether 20 which reacts with aldehydes and ketones to furnish the 1,3-dithiolo[4,5-d]-1,3-dithiole-2-ones 22a-c.