[1,3-di-tert-butylimidazolium][(CH(C=CH2)(CCH2B(C6F5)3)(N(2,6-(i-Pr)2C6H3))2)Ge] | 1177424-86-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: [1,3-di-tert-butylimidazolium][(CH(C=CH2)(CCH2B(C6F5)3)(N(2,6-(i-Pr)2C6H3))2)Ge]
• CAS: 1177424-86-0
• 化学式: C₁₁H₂₁N₂*C₄₇H₃₉BF₁₅GeN₂
• 分子量: 1181.52
• InChiKey: HUVIXWIVKAOQJN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  14.98
• 重原子数：
  79.0
• 可旋转键数：
  11.0
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  15.29
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为产物：
  描述：

  [C3H(CH2)(CH3)(N(2,6-diisopropylphenyl))2 germylene] 以 甲苯 为溶剂， 生成 [1,3-di-tert-butylimidazolium][(CH(C=CH2)(CCH2B(C6F5)3)(N(2,6-(i-Pr)2C6H3))2)Ge]
  参考文献：
  名称：

  Dehydrogenation of LGeH by a Lewis N-Heterocyclic Carbene Borane Pair under the Formation of L′Ge and its Reactions with B(C₆F₅)₃ and Trimethylsilyl Diazomethane: An Unprecedented Rearrangement of a Diazocompound to an Isonitrile

  摘要：

  Herein we report the dehydrogenation of LGeH (1) [L = CH{(CMe)(2,6-IPr2C6H3N)}(2)] by a frustrated Lewis NHC borane pair under the formation of an imidazolium borate salt (2) and the heterocyclic germylene L'Ge (3) [L' = CH{(C=CH2)(CMe)(2,6-IPr2C6H3N)(2)}]. The reaction of 3 with B(C6F5)(3) in toluene results in the formation of a zwitterion containing a germylene moiety, [B(C6F5)(3)L '' Ge] (4) [L '' = CH{(CCH2)(CMe)(2,6-iPr(2)C(6)H(3)N)(2)}], Subsequent treatment of 4 with 1 equiv of 1,3-di-tert-butylimidazol-2-ylidene (NHC) gives B(C6F5)(3)L"'Ge (5) [L"' = CH{(C=CH2)(CCH2B(C6F5)(3))(2,6-IPr2C6H3N)(2)}] under formation of the imidazolium cation, Moreover compound 3 reacts with trimethylsilyl diazomethane (N2CHSiMe3) to form the diazogermylene LGeC(N-2)SiMe3 (6) under C-H bond cleavage. Compound 6 slowly rearranges to the isonitriletrimethylsilyl germanium(II) amide LGeN(SiMe3)NC (6a). All compounds were characterized by microanalysis and multinuclear NMR spectroscopy. Compounds 4, 6, and 6a were unequivocally identified by single crystal X-ray structure analysis.

  DOI：

  10.1021/ic900341r