(i-Bu2ATI)Ge(Se)NC4H4 | 1446751-53-6

• 英文名称: (i-Bu2ATI)Ge(Se)NC4H4
• CAS: 1446751-53-6
• 化学式: C₁₉H₂₇GeN₃Se
• 分子量: 448.993
• InChiKey: RVCLSQKJGUDJNW-UHFFFAOYSA-N

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

• 作为反应物：
  描述：

  三甲基溴硅烷 、 (i-Bu2ATI)Ge(Se)NC4H4 以 四氢呋喃 为溶剂， 反应 18.0h， 以88.2%的产率得到
  参考文献：
  名称：

  Reactivity of LGe–NR₂ and LGe(E)–NR₂ over LGe–Cl and LGe(E)–Cl toward Me₃SiX (L = Aminotroponiminate; NR₂ = N(SiMe₃)₂/NC₄H₄; E = S/Se; X = Br/CN)

  摘要：

  The halogen exchange reaction of either germylene monochloride [LGeCl] (1) or germachalcogenoacid chlorides [LGe(E)Cl] (L = (i-Bu)(2)ATI; ATI = aminotroponiminate; E = S (V)/Se (VI)) with Me3SiX (X = Br/CN) did not occur. Therefore, the reactions of germanium compounds containing Ge-N bonds with Me3SiBr/CN were tried. Germylene amide [LGeN(SiMe3)(2)] (2) reacted with Me3SiBr to afford the aminotroponiminatogermylene monobromide [LGeBr] (3). Similarly, the chalcogen derivatives of compound 2, viz., germachalcogenoamides [LGe-(E)N(SiMe3)(2)] (E = S 4 and Se 5) reacted with Me3SiBr and resulted in germachalcogenoacid bromides [LGe(E)Br] (E = S 6 and Se 7), respectively. N-Germylene pyrrole [LGeNC4H4] (2a) and N-germachalcogenoacylpyrroles [LGe(E)NC4H4] (E = S 4a, Se 5a) also reacted with Me3SiBr and afforded compounds 3, and 6-7 in excellent yields, respectively. Interestingly, the reaction of compound 2a with Me3SiCN afforded germanium(II) cyanide [LGeCN] (8). The difference in the reactivity of compounds (1, V, and VI) with Ge-Cl bonds against the compounds (2, 4, and 5) with Ge-N bonds was analyzed theoretically.

  DOI：

  10.1021/acs.organomet.5b00643
• 作为产物：
  描述：

  [(i-Bu)2(aminotroponiminate)GeCl] 以 四氢呋喃 、 甲苯 为溶剂， 反应 18.0h， 生成 (i-Bu2ATI)Ge(Se)NC4H4
  参考文献：
  名称：

  Synthesis and Reactivity of N-Aminotroponiminatogermylenepyrrole and Its Derivatives

  摘要：

  Through the reaction of the aminotroponiminatogermylene monochloride complex [(Bu(2)(i)ATI)GeCl] (1) with sodium pyrrolide, the stable N-germylene pyrrole complex [(Bu(2)(i)ATI)GeNC4H4] (2) has been isolated. The reaction of compound 2 with thiophenol and selenophenol afforded the first germylene thio- and selenophenoidde complexes [(Bu(2)(i)ATI)GeSPh] (3) and [(Bu(2)(i)ATI)GeSePh] (4) through the substitution of the pyrrole moiety (NC4H4) with an EPh moiety (E = S (3), Se (4)), respectively. Interestingly, the chalcogenide derivatives of compound 2, such as the N-germathioacylpyrrole complex [(Bu(2)(i)ATI)Ge(S)NC4H4] (5) and N-germaselenoacylpyrrole complex [(Bu(2)(i)ATI)Ge(Se)NC4H4] (6), also underwent the aforementioned substitution reaction with thiophenol and selenophenol, resulting in the first examples of germa thioester complexes ([(Bu(2)(i)ATI)Ge(S)SPh] (7) and [(Bu(2)(i)ATI)Ge(Se)SPh] (8)) and germa selenoester complexes ([(Bu(2)(i)ATI)Ge(S)SePh] (9) and [(Bu(2)(i)ATI)Ge(Se)SePh] (10)), respectively. All the novel germanium compounds 3-10 have been unequivocally characterized through multinuclear NMR spectroscopy along with the germylene complex 2. Further, compounds 3-5 and 7-10 were characterized through single-crystal X-ray diffraction studies. The Ge-II-S and Ge-II-Se bond lengths in compounds 3 and 4 are 2.367(1) and 2.511(1) angstrom, respectively. The average Ge-IV-S and Ge-IV-Se bond lengths in germa thioester (7 and 8) and germa selenoester (9 and 10) complexes are 2.241(1) and 2.362(1) angstrom, respectively.

  DOI：

  10.1021/om4003158