dimethyl 2-(di(2-pyridyl)methylene)-1,3-dithiole-4,5-dicarboxylate | 1041400-21-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: dimethyl 2-(di(2-pyridyl)methylene)-1,3-dithiole-4,5-dicarboxylate
• 英文别名: dimethyl 2-[di(2-pyridin-2-yl)methylene]-1,3-dithiole-4,5-dicarboxylate；Dimethyl 2-(dipyridin-2-ylmethylidene)-1,3-dithiole-4,5-dicarboxylate；dimethyl 2-(dipyridin-2-ylmethylidene)-1,3-dithiole-4,5-dicarboxylate
• CAS: 1041400-21-8
• 化学式: C₁₈H₁₄N₂O₄S₂
• 分子量: 386.452
• InChiKey: PVHNUNINOGIQRR-UHFFFAOYSA-N

物化性质

• 沸点：
  529.9±50.0 °C(Predicted)
• 密度：
  1.416±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  26
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  129
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  五羰基溴铼(I) 、 dimethyl 2-(di(2-pyridyl)methylene)-1,3-dithiole-4,5-dicarboxylate 以 甲苯 为溶剂， 以83%的产率得到[Re(CO)3Cl(dimethyl 2-(di(2-pyridyl)methylene)-1,3-dithiole-4,5-dicarboxylate)]
  参考文献：
  名称：

  carbonyl（I）三羰基配合物与联吡啶配体连接到富硫核上：合成，结构和性质

  摘要：

  carbonyl（I）三羰基配合物与联吡啶配体，带有富硫侧链Re（CO）3（Medpydt）X（Medpydt =二甲基2-（二（2-吡啶基）亚甲基）-1,3-二硫代-4,5-二羧酸盐; X = Cl，1 ; X = Br，2）和Re（CO）3（MebpyTTF）X（MebpyTTF = 4,5-双（甲氧基氧羰基）-4'，5'-（4'-甲基-2， 2'-dipyrid-4-ylethyldithio）-tetrathiafulvalene; X = Cl，5 ; X = Br，6）分别由Re（CO）5 X（X = Cl，Br）与Medpydt或MebpyTTF的反应制备。上述络合物的水解得到具有羧酸酯衍生物Re（CO）3（H 2 dpydt）X（X = Cl，3 ; X = Br，4）和Re（CO）3（H 2 bpyTTF）X（X = Cl，7 ; X = Br，8）。配合物1  ·2H 2

  DOI：

  10.1016/j.jorganchem.2008.12.018
• 作为产物：
  描述：

  2-二吡啶基酮 、 1,3-二硫杂环戊二烯-2-硫酮-4,5-二甲酸二甲酯 在 亚磷酸三乙酯 作用下， 生成 dimethyl 2-(di(2-pyridyl)methylene)-1,3-dithiole-4,5-dicarboxylate
  参考文献：
  名称：

  carbonyl（I）三羰基配合物与联吡啶配体连接到富硫核上：合成，结构和性质

  摘要：

  carbonyl（I）三羰基配合物与联吡啶配体，带有富硫侧链Re（CO）3（Medpydt）X（Medpydt =二甲基2-（二（2-吡啶基）亚甲基）-1,3-二硫代-4,5-二羧酸盐; X = Cl，1 ; X = Br，2）和Re（CO）3（MebpyTTF）X（MebpyTTF = 4,5-双（甲氧基氧羰基）-4'，5'-（4'-甲基-2， 2'-dipyrid-4-ylethyldithio）-tetrathiafulvalene; X = Cl，5 ; X = Br，6）分别由Re（CO）5 X（X = Cl，Br）与Medpydt或MebpyTTF的反应制备。上述络合物的水解得到具有羧酸酯衍生物Re（CO）3（H 2 dpydt）X（X = Cl，3 ; X = Br，4）和Re（CO）3（H 2 bpyTTF）X（X = Cl，7 ; X = Br，8）。配合物1  ·2H 2

  DOI：

  10.1016/j.jorganchem.2008.12.018

文献信息

• 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.
• Synthesis and characterization of new ruthenium(II) complexes containing coupled di(2-pyridyl) and 1,3-dithiole units
  作者：Ya Chen、Wei Liu、Bin Liu、Xin-Hui Zhou、Zhi-Gang Zou、Jing-Lin Zuo、Xiao-Zeng You

  DOI：10.1016/j.ica.2008.03.053

  日期：2009.1

  Two new ruthenium (II) complexes containing coupled di(2-pyridyl) and 1,3-dithiole units, cis-[Ru(Medpydt) (2)(NCS)(2)] (2, Medpydt = dimethyl 2-(di(2-pyridyl)methylene)-1,3-dithiole-4,5-dicarboxylate) and cis-[Ru(H(2)dpydt)(2)(NCS)(2)] (3, H(2)dpydt = 2-(di(2-pyridyl)methylene)-1,3-dithiole-4,5-dicarboxylate), have been synthesized and characterized. The structure of complex 2 has been determined by X-ray crystallography. There exist intermolecular H-bonding interactions between carbomethoxy groups on neighboring pyridine rings giving rise to 2D H-bonded arrays. The metal-to-ligand charge-transfer (MLCT) absorptions were observed around 480 nm. Redox properties of ruthenium complexes have been investigated by cyclic voltammetry. Solar cells involving thin films of anatase TiO2 impregnated with cis-[Ru(H(2)dpydt)(2)(NCS)(2)] were prepared, and the photovoltaic performance was preliminarily investigated. (c) 2008 Elsevier B.V. All rights reserved.