1',3'-dithiolo<4',5':5,6><1,4>dithiino<2,3-b>quinoxaline-2-thione | 130689-31-5

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 1',3'-dithiolo<4',5':5,6><1,4>dithiino<2,3-b>quinoxaline-2-thione
• 英文别名: 1',3'-dithiolo[4',5':5,6][1,4]dithiino[2,3-b]quinoxaline-2-thione；11,13,15,17-Tetrathia-2,9-diazatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3,5,7,9,12(16)-hexaene-14-thione
• CAS: 130689-31-5
• 化学式: C₁₁H₄N₂S₅
• 分子量: 324.496
• InChiKey: XPFFNKLAKODSCB-UHFFFAOYSA-N

物化性质

• 熔点：
  304 °C (decomp)
• 沸点：
  488.7±55.0 °C(Predicted)
• 密度：
  1.85±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.4
• 重原子数：
  18
• 可旋转键数：
  0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  159
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  1',3'-dithiolo<4',5':5,6><1,4>dithiino<2,3-b>quinoxaline-2-thione 在 亚磷酸三乙酯 作用下， 反应 0.5h， 以69%的产率得到bisquinoxalinodithiinotetrathiafulvalene
  参考文献：
  名称：

  Varma, Karikath S.; Edge, Stephen; Underhill, Allan E., Journal of the Chemical Society. Perkin transactions I, 1990, # 9, p. 2563 - 2565

  摘要：

  DOI：
• 作为产物：
  描述：

  2,3-二氯喹喔啉 、 4,5-dimercapto-1,3-dithiole-2-thione, sodium salt 以 四氢呋喃 为溶剂， 以95%的产率得到1',3'-dithiolo<4',5':5,6><1,4>dithiino<2,3-b>quinoxaline-2-thione
  参考文献：
  名称：

  Varma, Karikath S.; Edge, Stephen; Underhill, Allan E., Journal of the Chemical Society. Perkin transactions I, 1990, # 9, p. 2563 - 2565

  摘要：

  DOI：

文献信息

• Synthesis, characterization, and optical properties of new metal complexes with the multi-sulfur 1,2-dithiolene ligand
  作者：Liang Hu、Jie Qin、Nan Zhou、Yi-Fei Meng、Yan Xu、Jing-Lin Zuo、Xiao-Zeng You

  DOI：10.1016/j.dyepig.2011.08.003

  日期：2012.3

  Metal complexes containing a new multi-sulfur atom containing 1,2-dithiolene ligand, [4′,5′:5,6] [1,4] dithiino[2,3-b] quinoxaline-1′,3′-dithiolate, have been synthesized and characterized by electrochemical measurements, IR, UV–NIR and ESR spectroscopies. X-ray structure analysis reveals that the anions of the Ni-complex derived from the new ligand form a zig-zag chain along the b axis, and the anions

  包含新的多硫原子的金属配合物，该多硫原子包含1,2-二硫代烯配体[4'，5'：5,6] [1,4]二硫代[2,3 - b ]喹喔啉-1'，3'-二硫代磺酸盐已通过电化学测量，IR，UV-NIR和ESR光谱进行了合成和表征。X射线结构分析表明，新配体产生的Ni络合物的阴离子沿b轴形成锯齿形链，配体的Au络合物的阴离子沿a轴堆叠，而阳离子占据孔。镍配合物在表现出1082纳米（显着的吸收ɛ  = 15 000分米3 摩尔-1 厘米-1）和良好的溶解度，使该络合物成为有希望的调Q钕激光器的近红外染料。配合物的三阶非线性光学性质是通过Z扫描技术使用6.5 ns脉冲激光在532 nm处测量的。金络合物表现出非线性光学吸收能力，而镍络合物的非线性吸收可以忽略。所有的配合物都表现出有效的自散焦性能。已经确定了Au络合物的三阶非线性光学磁化率约为10 -13  esu。
• Syntheses, Structures, and Magnetic Properties of Heterobimetallic Clusters with Tricyanometalate and π-Conjugated Ligands Containing 1,3-Dithiol-2-ylidene
  作者：Yan-Hong Peng、Yi-Fei Meng、Liang Hu、Quan-Xiu Li、Yi-Zhi Li、Jing-Lin Zuo、Xiao-Zeng You

  DOI：10.1021/ic9023713

  日期：2010.2.15

  Two new pi-conjugated 1,3-dithiol-2-ylidene-containing ligands, 4,5-[1',4']dithiino[2',3'-b]quinoxaline-2-bis(2-pyridyl)methylene-1,3-dithiole (L-1) and 4,5-bis(methylthio)-2-bis(2-pyridyl)methylene-1,3-dithiole (L-2), have been synthesized and characterized. Using L-1, L-2, or dimethyl 2-[di(pyridin-2-yl)methylene]-1,3-dithiole-4,5-dicarboxylate (L-3) as the auxiliary ligand and [(Tp)Fe(CN)(3)(-) or [(i-BuTp)Fe(CN)(3)(-) [Tp = tris(pyrazolyl)borate; i-BuTp = 2-methylpropyltris(pyrazolyl)borate] as the building block, two rectangular-square Fe2Ni2 clusters [(Tp)Fe(CN)(3)-Ni(L-1)(2)](2)center dot 2ClO(4)center dot 6H(2)O (1) and [(i-BuTp)Fe(CN)(3)Ni(L-3)(2)](2)center dot 2ClO(4)center dot 6H(2)O (2) and two trinuclear clusters [(Tp)(2)Fe-2(CN)(6)Ni(L-2)(2)]center dot 8H(2)O (3) and [(TP)(2)Fe-2(CN)(6)Co(L-3)(2)]center dot 5H(2)O (4) have been prepared in parallel and structurally characterized. Complexes 1 and 2 show similar square structures, and weaker intermolecular pi-pi-stacking interactions through the pyrazolyl groups of the Tp(-) ligands are observed. 2D sheet structures are formed in complexes 3 and 4 through intermolecular pi-pi-stacking interactions. In 3, shorter S center dot center dot center dot S contacts further connect the 2D sheets to 3D supramolecular structures. Magnetic studies show intramolecular ferromagnetic coupling in complexes 1-4. Complexes 1 and 2 show obvious frequency dependencies in the alternating-current magnetic susceptibility data, indicating single-molecule-magnet behavior with effective spin-reversal barriers of 8.7 K for 1 and 13.5 K for 2, respectively.
• VARMA, KARIKATH S.;EDGE, STEPHEN;UNDERHILL, ALLAN E.;BECHER, JAN;BOJESEN,+, J. CHEM. SOC. PERKIN TRANS. PT 1,(1990) N, C. 2563-2565
  作者：VARMA, KARIKATH S.、EDGE, STEPHEN、UNDERHILL, ALLAN E.、BECHER, JAN、BOJESEN,+

  DOI：——

  日期：——