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

• Copper(II) complex of in situ formed 5-(2-pyridyl)-1,3,4-triazole through C–S bond cleavage in 1,2-bis(2-pyridylmethylthio)-bis-ethylsulphide: Synthesis, structural characterization and DNA binding study
  作者：Sandipan Sarkar、Titas Mukherjee、Supriti Sen、Ennio Zangrando、Pabitra Chattopadhyay

  DOI：10.1016/j.molstruc.2010.07.002

  日期：2010.9

  2-bis(2-pyridylmethylthio)-bis-ethylsulphide (L) with copper(II) chloride in presence of an excess of azide ions led to the formation of a new copper(II) complex formulated as [Cu(2-PTrz) 2 (H 2 O) 2 ] ( 1 ), where 2-PTrz = 5-(2-pyridyl)-1,3,4-triazole is formed through the cleavage of C–S bond in L promoted by copper(II) chloride. The precursor of 1 is the in situ formed Cu(pic) 2 derivative (pic = 2-picolinate)

  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
• 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：——