disodium salt of 2,6-di(thiomethyl)pyridine | 121782-27-2

• 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: disodium salt of 2,6-di(thiomethyl)pyridine
• 英文别名: 2,6-dithiomethylpyridine disodium salt；sodium pyridine-2,6-dimethanethiolate；Na2(2,6-bis(sulfidomethyl)pyridine)
• CAS: 121782-27-2
• 化学式: C₇H₇NS₂*2Na
• 分子量: 215.251
• InChiKey: YKPULCKPMSOGOW-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  -1.82
• 重原子数：
  11.0
• 可旋转键数：
  2.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  12.89
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  disodium salt of 2,6-di(thiomethyl)pyridine 、 7,13-Bis-[2-(2-chloro-ethoxy)-ethyl]-1,4,10-trioxa-7,13-diaza-cyclopentadecane 以 异丙醇 为溶剂， 反应 6.0h， 以55%的产率得到4,18,24,27,32-Pentaoxa-7,15-dithia-1,21,35-triaza-tricyclo[19.8.5.1^9,13]pentatriaconta-9,11,13(35)-triene
  参考文献：
  名称：

  侧链大双环穴状配体的合成及杂二金属配合物

  摘要：

  已经合成了大双环分子（1a–c）。它们是结合了“软”和“硬”结合亚基的异位配体，这些亚基通过选择性络合到给定位点而形成侧向双核加密，例如[Rh + -CO，M n + ⊂（1a–c）]。

  DOI：

  10.1039/c39860001232
• 作为产物：
  描述：

  2,6-双(巯基甲基)吡啶 在 sodium methylate 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 反应 0.5h， 以79%的产率得到disodium salt of 2,6-di(thiomethyl)pyridine
  参考文献：
  名称：

  一种简单的竞争测定法，用于研究五甲基铜（I）-硫醇基团簇配体交换

  摘要：

  分子式为[Cu 5（L）3 ] -的两个五核铜（I）硫醇铜簇-（L =吡啶-2,6-二甲硫醇盐（L1），（1）; 4-甲基吡啶-2,6-二甲硫醇盐（L2） ，（2））是通过一步法合成的，其结构通过X射线晶体学表征。前述五核配合物具有令人感兴趣的螺旋桨状的Cu 5 S 6。所有Cu中心均为三坐标的核心。电喷雾电离质谱（ESI-MS）研究的五核铜（I）硫醇基团与添加的杂配体表明有趣的配体交换行为。由配体交换产生的产物分布不仅取决于添加的配体的量，而且对配体的配位能力敏感。本研究中使用的ESI-MS方法可作为探测配位金属配合物中交换行为的有用工具，而这些配位金属配合物是无法通过NMR确定的。

  DOI：

  10.1016/j.jinorgbio.2012.11.008

文献信息

• Crystal structures and solution dynamics of mono- and di-nuclear rhodium complexes of heterodinucleating macrocyclic ligands containing the 2,6-di(thiomethyl)pyridine sub-unit
  作者：Ian M. Helps、Karen E. Matthes、David Parker、George Ferguson

  DOI：10.1039/dt9890000915

  日期：——

  Rhodium complexes of four macrocyclic ligands in which a polyether chain links a 2,6-di(thiomethyl)pyridine sub-unit are reported. The rhodium(I) carbonyl complex of 6,9,12-trioxa-3,15-dithia-21 -azabicyclo[l5.3.1]heneicosa-1(21),17,19-triene is dimeric with a weak metal-metal interaction [Rh–Rh 3.332 O(6)Å] and in the rhodium(III)–dichloro complex with 6,9,12,15,18-pentaoxa-3,21 -dithia-27-azabicyclo[21

  报道了四个大环配体的铑配合物，其中聚醚链连接2,6-二（硫甲基）吡啶亚基。6,9,12-trioxa-3,15-dithia-21 -azabicyclo [l5.3.1] heneicosa-1（21），17,19-三烯的铑（I）羰基配合物与弱金属金属形成二聚体相互作用[Rh–Rh 3.332 O（6）Å]以及与（6,9,12,15,18-pentaoxa-3,21 -dithia-27-azabicyclo [21.3.1] heptacosa的铑（III）-二氯配合物-1（27），23,25-三烯是水分子与金属结合并氢键合到聚醚链的两个氧上。用6-oxa-3,9-dithia-15-azabicyclo [9.3.1] pentadeca-1（15），11,13-三烯及其二聚体6,20-dioxa-形成具有桥连和末端羰基配体的双核配合物。 3,9,17,23-tetrathia-29
• Star porphyrazines: peripheral chelation of porphyrazineoctathiolate by diphosphinonickel ions
  作者：Christopher S. Velazquez、Theodore F. Baumann、Marilyn M. Olmstead、Hakon Hope、Anthony G. M. Barrett、Brian M. Hoffman

  DOI：10.1021/ja00075a016

  日期：1993.11

  We have synthesized new pentametallic macrocyclic complexes based on the polynucleating ligand, porphyrazine-2,3,7,8,12,13,17,18-octathiolate, (pzot)8-. This ligand can be thought of as a porphyrazine (tetraazaporphyrin) bearing four dithiolene moieties peripherally at the beta-pyrrole positions, and we show that a transition-metal ion can be chelated to each of the four peripheral dithiolene moieties. The complexes [(P-P)Ni]4[Ni(pzot)] (2a, P-P = dppe; 2b, P-P = dppy; 2c, P-P = dppb; 2d, P-P = dcpe) have been synthesized and characterized. Complex 2a crystallizes in the orthorhombic space group Cmc2(1) (No. 36) with 4 macrocycles and 16 solvent molecules (N,N-dimethylformamide) in a unit cell of dimensions a = 24.630(5) angstrom, b = 20.607(4) angstrom, c = 30.675(6) angstrom. The [Ni(pzot)]8- ligand in 2a coordinates four Ni(P-P) moieties around its periphery with the two thiolate sulfur atoms of each pyrrole binding a nickel ion in a bidentate (S-S) coordination mode. This is in contrast to the reaction of [Ni(pzot)]8- with SnR2X2, which yielded Ni(pzot)(SnR2)4 (1), where each tin is coordinated in the tridentate (S-N-S) mode, with the thiolate sulfur atoms from two pyrroles and one m-nitrogen atom as ligands from the macrocycle (Velazquez, C. S.; Fox, G. A.; Broderick, W. E.; Andersen, K; Anderson, O. P.; Barrett, A. G. M.; Hoffman, B. M. J. Am. Chem. Soc. 1992, 114, 7416-7424). Comparison of the crystal structures of 1,2a, and aquo(octakis(methylthio)porphyrazinato)magnesium(II) (Mg(omtp)), a structurally unconstrained reference compound with eight peripheral methylthio groups, shows that [Ni(pzot)]8- adjusts to accommodate either the (S-S) or (S-N-S) modes of coordinating the metal ions at the periphery by a swing of the C(beta)-S bond. H-1 and P-31 NMR studies have been used to determine the nature of the coordination of the Ni(P-P) units to the [Ni(pzot)]8- macrocycle in solution. Model compounds were synthesized as structural references to mimic both possible coordination sites of the [Ni(pzot)]8- ligand. The H-1 and P-31 NMR chemical shifts of macrocycles 2a-d and their respective bidentate model complexes clearly indicate that the macrocycle in solution also binds the Ni(P-P) units in a bidentate fashion. The electronic absorption spectra of complexes 2a-d show a red-shift of the absorbance in the Q-band region due to interaction of the porphyrazine pi-system with the four peripheral metal ions.