gallium;pyridine-2-thiolate | 165053-87-2

• 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: gallium;pyridine-2-thiolate
• CAS: 165053-87-2
• 化学式: C₁₅H₁₂GaN₃S₃
• 分子量: 400.201
• InChiKey: MOQWHUGTZFBLEI-UHFFFAOYSA-K

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
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• 可旋转键数：
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• 环数：
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• sp3杂化的碳原子比例：
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• 拓扑面积：
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• 氢给体数：
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• 氢受体数：
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反应信息

• 作为反应物：
  描述：

  乙醇 、 gallium;pyridine-2-thiolate 以 乙醇 、 二氯甲烷 为溶剂， 生成 Ga2(OEt)2(pyridine-2-thiolate)4
  参考文献：
  名称：

  Synthesis and Characterization of Gallium and Indium Thiolate Complexes. Crystal and Molecular Structures of [M(SC5H4N)3] (M = Ga, In), [In(SC5H3N-3-SiMe3)3], and [M2(OC2H5)2(SC5H4N)4] (M = Ga, In)

  摘要：

  The synthesis and characterizations of the monomeric group III thiolate complexes [In(SC5H4N)(3)] (1), [In(SC5H3N-3-SiMe(3))(3)] (2), and [Ga(SC5H4N)(3)] (5) and of the binuclear alkoxy-bridged derivatives [M(2)(OC2H5)(2)(SC5H4N)(4)] (M = In (3), Ga (6)) are described. Compounds 1 and 2 are formed in the reaction of the appropriate nitrate salt M(NO3)(3) . xH(2)O with the pyridine-2-thiol derivative in ethanol or water in the presence of triethylamine. In contrast, when the reaction is carried out under strictly anaerobic conditions, using the appropriate metal chloride MCl(3) in ethanol solution, the binuclear species 3 and 6 are obtained. Compound 5 was prepared using GaCl3 in THF with pyridine-2-thiol under strictly anaerobic conditions. Compound 4 was prepared under anaerobic conditions in THF solvent from GaCl3 and pyridine-2-thiol, Attempts to prepare complexes of the 3,6-bis(tert-butyldimethylsilyl)pyridine-2-thiol ligand type were unsuccessful. However, the sodium salt [Na{SC5H2N-3,6-(SiMe(2)Bu(t))(2)}](6) . 2(C2H5)(2)O (7) was isolated and the structure characterized. Crystal data: 1, C15H12N3S3In, monoclinic, P2(1), 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, 2392 reflections with I-0 > 3 sigma(I-0), R = 0.0338; 2, C24H36N3S3Si3In, orthorhombic, Pca2(1), a = 11.645(2) Angstrom, b = 19.741(4) Angstrom, c = 14.040(3) Angstrom, V = 3227(2) Angstrom(3), Z = 4, 1930 reflections, R = 0.0464; 3, C24H26N4O2S4In2, monoclinic, P2(1)/n, a = 8.420(2) Angstrom, b = 11.860(2) Angstrom, c = 14.629(3) Angstrom, beta = 101.83(3)degrees, V = 1429.8(7) Angstrom(3), Z = 2, 1699 reflections, R = 0.0296; 5, C15H12N3S3Ga, monoclinic, P2(1)/n, a = 8.661(2) Angstrom, b = 11.609(4) Angstrom, c = 9.315(2) Angstrom, beta = 115.40(3) Angstrom, Z = 2, 1508 reflections, R = 0.0453; 6, C24H26N4O2S4Ga2, monoclinic, P2(1)/n, a = 8.444(2) Angstrom, b = 11.479(2) Angstrom, c = 14.162(3) Angstrom, beta = 1354.4(7)degrees, Z = 2, 1513 reflections, R = 0.0349; 7, C124H248N6OS6Si12Na6, triclinic, P $($) over bar$$ 1, a = 16.156(3) Angstrom, c = 17.665(4) Angstrom, alpha = 118.47(3)degrees, beta = 92.40(3)degrees, gamma = 114.75(3)degrees, V = 3757(2) Angstrom(3), Z = 1, 5125 reflections, R = 0.0809.

  DOI：

  10.1021/ic00119a019
• 作为产物：
  描述：

  2-巯基吡啶 以 正己烷 、 甲苯 为溶剂， 生成 gallium;pyridine-2-thiolate
  参考文献：
  名称：

  硫供体配体的镓和铟化合物：吡啶-2-硫醇盐和二苯基硫代次膦酸盐

  摘要：

  摘要GaR3（R = t Bu，Me）与1、2或3摩尔当量的2-巯基吡啶（HSpy）反应生成Ga（R）2（Spy）[R = t Bu（1），Me（2 ）]，Ga（R）（Spy）2 [R = t Bu（3），Me（4）]和Ga（Spy）3，（5）。如果使用过量的HSp，则在NEt3存在下，GaCl3和HSpy的反应的确会生成Ga（Sp）3，否则可以分离出Ga（Cl）（Spy）2（NEt3）（6）。铟化合物In（Spy）3（7）既可以以与化合物5类似的方式制备，也可以在NEt 3存在下由HSpy与InCL或InCl 3反应制备。在除化合物3以外的所有化合物中，2-巯基吡啶仅起螯合配体的作用。Ga（t Bu）3与Ph2P（S）的反应产生[Ph2P（S）S] 2，但只有痕量的预期产物[（t Bu）2 Ga（μ-S 2 PPh 2）] 2（8）。相比之下，Ga（t Bu）3与HO（S）PPh2（E =

  DOI：

  10.1016/0277-5387(95)00253-o