1,9-bis(2-pyridyl)-2,5,8-trithianonane | 124284-36-2

• 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: 1,9-bis(2-pyridyl)-2,5,8-trithianonane
• 英文别名: bis(2-pyridylmethyl)-2,2’-thiodiethanethiol；1,9-di-(2-pyridyl)-2,5,8-trithianonane；1,2-bis(2-pyridylmethylthio)bis-ethylsulfide；1,2-bis(2-pyridylmethylthio)bisethylsulphide；2-[2-[2-(Pyridin-2-ylmethylsulfanyl)ethylsulfanyl]ethylsulfanylmethyl]pyridine
• CAS: 124284-36-2
• 化学式: C₁₆H₂₀N₂S₃
• 分子量: 336.546
• InChiKey: UMUDXCCCFKUSEB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  21
• 可旋转键数：
  10
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  102
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  copper(II) bis(trifluoromethanesulfonate) 、 1,9-bis(2-pyridyl)-2,5,8-trithianonane 以 not given 为溶剂， 以85%的产率得到{(1,9-bis(2-pyridyl)-2,5,8-trithianonane)copper(II)} triflate
  参考文献：
  名称：

  Liu, Shuang; Lucas, C. Robert; Hynes, Rosemary C., Canadian Journal of Chemistry, 1992, vol. 70, # 6, p. 1773 - 1783

  摘要：

  DOI：
• 作为产物：
  描述：

  末端脱氧核苷酸转移酶 、 2-氯甲基吡啶盐酸盐 在 sodium ethanolate 作用下， 以 乙醇 为溶剂， 生成 1,9-bis(2-pyridyl)-2,5,8-trithianonane
  参考文献：
  名称：

  铜（II）配合物通过 1,2-双（2-吡啶基甲硫基）-双-乙基硫中的 C-S 键裂解原位形成 5-（2-吡啶基）-1,3,4-三唑：合成、结构表征和 DNA 结合研究

  摘要：

  摘要 在过量叠氮离子存在下，1,2-双(2-吡啶基甲硫基)-双-乙基硫醚 (L) 与氯化铜 (II) 反应生成新的铜 (II) 络合物，公式为 [ Cu(2-PTrz) 2 (H 2 O) 2 ] ( 1 )，其中2-PTrz = 5-(2-吡啶基)-1,3,4-三唑是通过L中C-S键的断裂形成的氯化铜（II）促进。1 的前体是原位形成的 Cu(pic) 2 衍生物（pic = 2-吡啶甲酸酯），其存在是通过分离出纯形式的配合物 [Cu 2 (pic) 3 (H 2 O) ](ClO 4 ) ( 2 ), [Cu 2 (pic) 3 (H 2 O](NO 3 ) ( 3 ) 通过使用不同的阴离子。此外[Cu(pyca)Cl] ( 4 ) (pyca = bis(吡啶-2-羰基）胺）也从具有较少量叠氮化物的1获得。本研究中获得的所有铜 (II) 配合物均通过物理化学工具以及 X 射线晶体学研究进行表征。从

  DOI：

  10.1016/j.molstruc.2010.07.002

文献信息

• Spectroscopic Characterisation of a Bio‐Inspired Ni‐Based Proton Reduction Catalyst Bearing a Pentadentate N ₂ S ₃ Ligand with Improved Photocatalytic Activity
  作者：Philipp Gotico、Dooshaye Moonshiram、Cunming Liu、Xiaoyi Zhang、Régis Guillot、Annamaria Quaranta、Zakaria Halime、Winfried Leibl、Ally Aukauloo

  DOI：10.1002/chem.201904934

  日期：2020.3.2

  found in active hydrogenase enzymes, a Ni-based proton reduction catalyst with pentadentate N2 S3 ligand was synthesised. When coupled with [Ru(bpy)3 ]2+ (bpy=2,2'-bipyridine) as photosensitiser and ascorbate as electron donor in a 1:1 mixture of dimethylacetamide and aqueous ascorbic acid/ascorbate buffer, the catalyst showed improved photocatalytic activity compared with a homologous counterpart bearing

  受活性氢酶中富硫环境的启发，合成了具有五齿N2 S3配体的Ni基质子还原催化剂。在二甲基乙酰胺和抗坏血酸/抗坏血酸水溶液1：1的混合物中，与[Ru（bpy）3] 2+（bpy = 2,2'-联吡啶）作为光敏剂和抗坏血酸酯作为电子给体偶联时，催化剂显示出改善的光催化性能与带有四齿N2 S2配体的同源对应物相比，其活性更高。通过光学瞬态吸收和时间分辨X射线吸收光谱对光诱导氢逸出的机理进行了全面分析，揭示了光辐照过程中催化体系的重要电子和结构变化。NiII催化剂经历光诱导的以金属为中心的还原，以形成具有扭曲的方形双锥体几何结构的NiI中间体。进一步的动力学分析揭示了五齿和四齿形式之间电荷分离动力学的差异。
• Some high-potential trithioether chelates of copper
  作者：René P.F. Kanters、Yu Ru、Anthony W. Addison

  DOI：10.1016/s0020-1693(00)82965-5

  日期：1992.6

  coordination about the copper, with an equatorial N 2 S 2 donor set, plus the third thioether sulfur bound axially. The most marked consequence of the pyridine α-methylation is that the Cu 2+/+ reduction potential is raised by about 200 mV; otherwise, the E 1 2 is consonant with previously advanced models for correlating redox potentials with ligand structural features. The pyridyl copper(II) complexes have

  摘要线性四齿配体1,8-双（2'-喹啉基）-3,6-二硫辛烷和三个五齿配体1,9-双（2'-吡啶基）-2,5,8-三噻喃烷，1,9已经制备了-双（6'-甲基-2'-吡啶基）-2,5,8-三噻烷烷和1,11-双（2'-喹啉基）-3,6,9-三噻烷十一烷。深绿色-蓝色铜（II）螯合物已通过光学和ESR光谱和循环伏安法进行了表征。两种吡啶基螯合物对铜具有相似的四方配位，具有赤道的N 2 S 2供体，加上轴向键合的第三硫醚硫。吡啶α-甲基化的最显着结果是Cu 2 + / +还原电位提高了约200 mV。否则，E 1 2与先前将氧化还原电势与配体结构特征相关的先进模型相吻合。
• Complexes of cobalt, nickel, palladium and silver with N2Sx (x=3 or 4) ligands involving aromatic nitrogen and thioether donors
  作者：Bibhutosh Adhikary、Shuang Liu、C.Robert Lucas

  DOI：10.1016/s0020-1693(96)05572-7

  日期：1997.8

  Preparations of eleven complexes of the open-chain, aromatic nitrogen/thioether donor, N2S3 and N2S4 ligands, L1 and L2, are described. The complexes have been characterized by using conductivity, cyclic voltammetry, magnetic susceptibility, ESR, NMR and UV-Vis spectroscopies where appropriate and by X-ray crystallography for [Co(L2)][ClO4](2). Crystal data: monoclinic, space group C2/c, a=18.177(3), b=11.600(2), c=14.552(2) Angstrom, beta=124.703(6)degrees, Z=4, R=0.039, R-w=0.050. The presence of a spin-crossover system for the Co(II) complexes has been detected.
• Coenzyme M studies with nickel(II) compounds
  作者：T. Pandiyan、M.A. Rios Enrı́quez、S. Bernès、C. Durán de Bazúa

  DOI：10.1016/s0277-5387(99)00243-0

  日期：1999.11

  Nickel(II) complexes of 1,6-bis(pyridyl)-2,5-dithiahexane (L-1), 1,7-bis(2'-pyridyl)-2,6-dithiaheptane (L-2) and 1,9-bis(2'-pyridyl)2,5,8-trithianonane (L-3) have been prepared and their spectroscopic and redox behaviors were studied. [Ni(II)L-1 (H2O)(2)](ClO4)(2), and [Ni(II)L-3(H2O)](ClO4)(2) were crystallized in single crystal form; their structures were solved by X-ray crystallography. The structures of the complexes are of distorted octahedral geometry. A red shift in the electronic spectra and a positive potential shift in electrochemical studies were detected during the addition of the sodium salt of 2-mercaptoethanesulfonic acid (CoM) to Ni(ll) complexes containing L-1 and L-2. The high redox potential shifting difference (PSD) was observed with the addition of CoM to [NiL1](2+), which accounts for the axial coordination of CoM with the nickel ion. However, [Ni(II)L-3](2+) does not respond well with CoM addition due to the structural limitation around the Ni(II) ion. A destabilization of [Ni(II)L-1](2+) and [Ni(II)L-2](2+) complexes and stabilization for [Ni(II)L-3](2+) were noticed in their redox studies and these trends were inversely changed during anaerobic CoM addition to Ni(II) complexes. A. nephelauxetic effect (beta values) has been shown to establish a good relation with PSD. (C) 1999 Elsevier Science Ltd. Ail rights reserved.
• Adhikary, Bibhutosh; Liu, Shuang; Lucas, C. Robert, Inorganic Chemistry, 1993, vol. 32, # 26, p. 5957 - 5962
  作者：Adhikary, Bibhutosh、Liu, Shuang、Lucas, C. Robert

  DOI：——

  日期：——