3,6-bis(tert-butyldimethylsilyl)pyridine-2-thione | 116725-52-1

• 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: 3,6-bis(tert-butyldimethylsilyl)pyridine-2-thione
• 英文别名: 3,6-bis(tert-butyldimethylsilyl)pyridine-2-thiol；HSC5H2N-3,6-(SiMe2(t-Bu))2；3,6-bis[tert-butyl(dimethyl)silyl]-1H-pyridine-2-thione
• CAS: 116725-52-1
• 化学式: C₁₇H₃₃NSSi₂
• 分子量: 339.693
• InChiKey: OCZKBLZQJDXAHM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.18
• 重原子数：
  21
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  44.1
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  3,6-bis(tert-butyldimethylsilyl)pyridine-2-thione 在 四丁基氟化铵 作用下， 以 四氢呋喃 为溶剂， 以85%的产率得到3-(tert-butyldimethylsilyl)pyridine-2-thione
  参考文献：
  名称：

  Synthesis and characterisation of cobalt(III), nickel(II), copper(I) and silver(I) complexes of silylated pyridine-2-thione

  摘要：

  在适当的杂环硫酮 RMe2SipySH (3-ButMe2SipySH, 3-ThexMe2SipySH, 6-ThexMe2SipySH) 的乙腈溶液中对阳极金属（钴、镍、铜和银）进行电化学氧化，得到通式 [M(RMe2SipyS)] 的配合物（ M = Cu、Ag) 和 [M(RMe2SipyS)n]（当 M = Co，n = 3；M = Ni，n = 2 时）。当在 2,2'-联吡啶 (bipy) 存在下重复氧化时，仅在 M = Ni 的情况下才能获得混合配合物 [M(RMe2SipyS)2(bipy)]。铜配合物 [M(RMe2SipyS)] 与 1,2-双(二苯基膦基)乙烷 (dppe) 和双(二苯基膦基)甲烷 (dppm) 在乙腈中反应生成 [Cu2(RMe2SipyS)2(dppe)3] 和[Cu2(RMe2SipyS)2(dppm)2]。通过X射线衍射测定了[Cu6(3-ButMe2SipyS)6], 1、[Cu6(6-ThexMe2SipyS)6], 2和[3-ButMe2SipyS-Spy-3-ButSiMe2], 3的分子结构。化合物1和2是六核的，六个铜原子排列成扭曲的八面体几何形状，每个铜原子处于扭曲的三角平面[CuS2N]环境中，每个配体采用N,S-二齿S-桥接模式。讨论了配合物的电子、振动以及 1H 和 13C NMR 谱并与其结构相关。

  DOI：

  10.1039/a908129a
• 作为产物：
  描述：

  2-巯基吡啶 、 叔丁基二甲基氯硅烷 在 正丁基锂 、 二异丙胺 作用下， 生成 3,6-bis(tert-butyldimethylsilyl)pyridine-2-thione
  参考文献：
  名称：

  Block, Eric; Gernon, Michael; Kang, Hyunkyu, Angewandte Chemie, 1988, vol. 100, # 10, p. 1389 - 1391

  摘要：

  DOI：

文献信息

• The synthesis and crystal and molecular structure of mer-tris(3-trimethylsilyl-2-pyridinethiolato)cobalt(III)
  作者：Eric Block、Hyunkyu Kang、Gabriel Ofori-Okai、Jon Zubieta

  DOI：10.1016/s0020-1693(00)80918-4

  日期：1991.10

  thiol in methanol yields [Co(2-SC5H3N-3-SiMe3)3]. The crystal structure determination revealed the meridional ligand arrangement, as previously reported for the analogous [Co(2-SC5H4N]. Crystal data: C24H36N3Si3S3Co, monoclinic space group P21/c, a = 9.416(2), b = 29.163(4), c = 12.371(2) A. β = 106.81(1)°, Z = 4, Dcalc = 1.23 g cm−3; structure solution and refinement based on 1032 reflections with

  摘要[Co（H2O）6] Cl2与3-三甲基甲硅烷基-2-吡啶硫醇在甲醇中的室温反应生成[Co（2-SC5H3N-3-SiMe3）3]。如先前报道的类似物[Co（2-SC5H4N]所示，晶体结构确定揭示了子午配体排列。晶体数据：C24H36N3Si3S3Co，单斜晶空间群P21 / c，a = 9.416（2），b = 29.163（4）， c = 12.371（2）A.β= 106.81（1）°，Z = 4，Dcalc = 1.23 g cm−3;基于Fo⩾6o（Fo）（MoKα，λ= 0.71073）的1032次反射进行结构求解和优化A）收敛于R = 0.069。
• Electrochemical synthesis of mercury(II) complexes with some heterocyclic thiones : The crystal and molecular structures of bis(6-Tertbutyldimethylsilyl)2-Pyridyl disulphide (6-ButSidmepyS-Spy-6-BuSidme) and Hg(6-ButSidmepyS)2
  作者：Jose Tallon、Jose A. Garcia-Vazquez、Jaime Romero、Maria S. Louro、Antonio Sousa、Qin Chen、Yuanda Chang、Jon Zubieta

  DOI：10.1016/0277-5387(95)00093-8

  日期：1995.8

  Abstract A series of complexes of the type Hg(SR) 2 have been obtained by oxidation of the metal in an acetonitrile solution of the neutral heterocyclic thiones (RSH). The crystal and molecular structures of bis(6-tertbutyldimethylsilyl)2-pyridyI disulphide (6-Bu t SidmepyS-Spy-6-Bu t Sidme) and of bis[(6-tertbutyldimethylsilyl) pyridyl-2-thionato] mercury(II), (Hg(6-Bu t SidmepyS( 2 ) have been determined

  摘要通过在中性杂环硫酮（RSH）的乙腈溶液中氧化金属，获得了一系列Hg（SR）2型配合物。二（6-叔丁基二甲基甲硅烷基）2-吡啶基二硫化物（6-But SidmepyS-Spy-6-Bu t Sidme）和双[（6-叔丁基二甲基甲硅烷基）吡啶基-2-硫代]汞（II）的晶体和分子结构（Hg（6-But SidmepyS（2）已通过单晶X射线衍射测定。汞配合物的结构由具有线性二配位的单个中心对称单体分子，SHgS和弱分子内Hg HN组成）讨论了配合物的振动和1 H，13 C和199 Hg NMR光谱数据，并与该结构有关。
• Block, Eric; Brito, Maria; Gernon, Michael, Inorganic Chemistry, 1990, vol. 29, # 17, p. 3172 - 3181
  作者：Block, Eric、Brito, Maria、Gernon, Michael、McGowty, Deborah、Kang, Hyunkyu、Zubieta, Jon

  DOI：——

  日期：——
• Synthesis and Characterization of Rhenium Thiolate Complexes. Crystal and Molecular Structures of [NBu₄][ReO(H₂O)Br₄)]·2H₂O, [Bu₄N][ReOBr₄(OPPh₃)], [ReO(SC₅H₄N)₃], [ReO(SC₄H₃N₂)₃][ReO(OH)(SC₅H₄N-3,6-(SiMe₂Bu^t)₂)₂], [Re(N₂COC₆H₅)(SC₅H₄N)Cl(PPh₃)₂], and [Re(PPh₃)(SC₄H₃N₂)₃]
  作者：David J. Rose、Kevin P. Maresca、Peter B. Kettler、Yuan Da Chang、Victoria Soghomomian、Qin Chen、Michael J. Abrams、Scott K. Larsen、Jon Zubieta

  DOI：10.1021/ic950881o

  日期：1996.1.1

  The syntheses and characterizations of six monomeric rhenium thiolate complexes and the structural characterization of two useful rhenium starting materials are presented. Pyridine-2-thiol (1) and its derivatives 3-(trimethylsilyl)pyridine-2-thiol (2), 3,6-bis(dimethyl-tert-butylsilyl)pyridine-2-thiol (3), and pyrimidine-2-thiol (4) were reacted with [Bu(4)N][ReOBr4(H2O)]. 2H(2)O (5), [Bu(4)N][ReOBr4(OPPh(3))] (6), [ReO2(C5H5N)(4)], and [ReN2CO(C6H5)}Cl-2(PPh(3))(2)] to give [ReO(C5H4NS)(3)] (7), [ReO(C8H12NSiS)(3)] (8), [ReO(OH)(C11H20NSi2S)(2)] (9), [ReN2CO(C6H5)}Cl(PPh(3))(2)(C5H4NS)] (10), [ReO(C4H3N2S)(3)] (11), and [ReP(C6H5)(3)}(C4H3N2S)(3)] (12). Crystal data: 5, C16H42NO4Br4Re, tetragonal, I (4) over bar, a = 8.779(2) Angstrom, b = 11.614(2) Angstrom, c = 9.397(2) Angstrom, beta = 114.67(3)degrees, V = 870.7(4) Angstrom(3), Z = 2, 422 reflections, R = 0.0457; 6, C34H51NO2PBr4Re, triclinic, P (1) over bar, a = 14.437(3) Angstrom, b = 16.589(3) Angstrom, c = 16.783(3) Angstrom, alpha = 94.87(3)degrees, beta = 97.62(3)degrees, gamma = 93.80(3)degrees, V = 3957(2) Angstrom(3), Z = 4, 6141 reflections, R = 0.0758; 7, C15H12N3OS3Re, monoclinic, P2(1)/c, a = 11.533(2) Angstrom, b = 11.385(2) Angstrom, c = 14.039(3) (3) Angstrom, beta = 107.97(3)degrees, V = 1749.8(9) Angstrom(3), Z = 4, 1869 reflections, R = 0.0322; 9, C34H65N2O2S2Si4Re, triclinic, P (1) over bar, a = 8.072(2) Angstrom, b = 11.409(2) Angstrom, c = 12.402(3) Angstrom, alpha 79.67(3)degrees, beta = 74.05(3)degrees, gamma = 86.18(3)degrees, V = 1080.2(5) Angstrom(3), Z = 1, 4630 reflections, R = 0.0525; 10, C48H39N3OSP2ClRe, triclinic, P (1) over bar, a = 10.842(2) Angstrom, b = 13.660 (3) Angstrom, c = 17.665(4) Angstrom, alpha = 86.37(3)degrees, beta = 89.93(3)degrees, gamma = 77.22(3)degrees, V = 2080.2(10) Angstrom(3), Z = 2, 4329 reflections, R = 0.0437; 11, C12H9N6OS3Re, orthorhombic, Pbca, a = 8.240(2) Angstrom, b = 13.373(3) Angstrom, c = 29.388(6) Angstrom, V = 3238.4(16) Angstrom(3), Z = 8, 1400 reflections, R = 0.0512; 12, C31H26N6S3PCl2Re, triclinic, P (1) over bar, a = 9.224(2) Angstrom, b = 12.050(2) Angstrom, c = 17.665(4) Angstrom, alpha = 89.25(3)degrees, beta = 85.70(3)degrees, gamma = 67.94(3)degrees, V = 1604.0(8) Angstrom(3), Z = 2, 3592 reflections, R = 0.0697.
• Block, Eric; Gernon, Michael; Kang, Hyunkyu, Inorganic Chemistry, 1991, vol. 30, # 8, p. 1736 - 1747
  作者：Block, Eric、Gernon, Michael、Kang, Hyunkyu、Ofori-Okai, Gabriel、Zubieta, Jon

  DOI：——

  日期：——