[Me2NN]Zn(SCPh3)(THF) | 923955-94-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: [Me2NN]Zn(SCPh3)(THF)
• 英文别名: (2,4-bis(2,6-dimethylphenylimido)pentane-H)Zn(SCPh3)(THF)
• CAS: 923955-94-6
• 化学式: C₄₄H₄₈N₂OSZn
• 分子量: 718.334
• InChiKey: KAWYFIAMZFPHQM-RRCVHURESA-M

计算性质

• 辛醇/水分配系数(LogP)：
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• 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

• 作为产物：
  描述：

  四氢呋喃 、 [Me2NN]ZnCl2Li(THF)3*nTHF 、 Lithiumtrimethylmercaptide 以 四氢呋喃 为溶剂， 以37%的产率得到[Me2NN]Zn(SCPh3)(THF)
  参考文献：
  名称：

  S-nitrosothiol and nitric oxide reactivity at β-diketiminato zinc thiolates

  摘要：

  The beta-diketiminato zinc halide [Me2NN]ZnCl2Li(THF)(3) (1) is prepared in 51% isolated yield by addition of the lithium beta-diketiminate Li[Me2NN] to ZnCl2 in THF. Reaction of 1 with 2 equiv. of the thallium thiolate TISCy provides {[Me2NN]Zn(mu-SCY)(2)TI}(2) (2), a TISCy adduct of [Me2NN]ZnSCy, as colorless crystals in 51% yield. Reaction of 1 with 1 equiv. TlSR provides the dinuclear {[Me2NN]Zn(mu-SR)}(2) (R = Cy (3), Bu-t (4)) which possess unsymmetrically bridging thiolate ligands with pairs of dissimilar Zn-S distances in the solid state (2.350(3) and 2.417(3) angstrom for 3; 2.312(1) and 2.415(1) angstrom for 4). Reaction of 1 with LiSCPh3 results in the mononuclear zinc thiolates [Me2NN]ZnSCPh3(THF) (5) and [Me2NN]ZnSCPh3 (6) with shorter, but similar Zn-SR distances of 2.225(2) and 2.214(1) angstrom. Variable temperature H-1 NMR studies of 3 and 4 in CDCl3 Suggest that the aliphatic thiolates exist predominately as monomeric species in solution near room temperature, though at -50 degrees C two different beta-diketiminato species are observed for 3. Thiolate exchange among 3, 4, and 6 also takes place on the NMR timescale near room temperature. Both 4 and 6 undergo transnitrosylation with CySNO in CDCl3 to give {[Me2NN]ZnSCy}(2) (3) and the corresponding S-nitrosothiol (BuSNO)-Bu-t or Ph3CSNO. Nitric oxide does not react with 4 or 6 under anaerobic conditions, but in the presence of O-2, NO cleaves the zinc-thiolate bond of 4 to rapidly give (BuSNO)-Bu-t. Similarly, anaerobic NO2 reacts with 4 to give (BuSNO)-Bu-t providing insight into the active nitrogen oxide species capable of cleaving Zn-SR bonds. (c) 2006 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2006.07.049