| 280584-25-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• CAS: 280584-25-0
• 化学式: C₂₅H₄₀LiN₃Si
• 分子量: 417.639
• InChiKey: OVGVBXCXQSOBAX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.34
• 重原子数：
  30.0
• 可旋转键数：
  7.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  20.58
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  乙二醇二甲醚溴化镍 、 以 乙醚 为溶剂， 以71%的产率得到
  参考文献：
  名称：

  1-Azaallyl Complexes of NiII, PdII, and TiIII

  摘要：

  The metal complexes [Ni{N(Ar)C(R)C(H)Ph}(2)) (2) (Ar = 2,6-Me2C6H3, R = SiMe3), [Ti(Cp-2){N(R)C(Bu-t)C(H)R}] (3), M{N(R)C(Bu-t)C(H)R}I [M = Ni (4a) or Pd (4b)] and [M{N(R)C(Bu-t)C(H)R}I(PPh3)] [M = Ni (5a) or Pd (5b)] have been prepared from a suitable metal halide and lithium precursor of (2) or (3) or, alternatively from [M(LL)(2)] (M = Ni, LL = cod; M = Pd, LL = dba) and the ketimine RN = C(Bu-t)CH(I)R (1). All compounds, except 4 were fully characterised, including the provision of X-ray crystallographic data for complex 5a.

  DOI：

  10.1002/(sici)1521-3749(200005)626:5<1081::aid-zaac1081>3.0.co;2-c

文献信息

• The reactions of lithium trimethysilylmethyls with isocyanides; structures and reactions of the derived lithium 1-azaallyls, β-diketiminates and a 1-azabuta-1,3-dienyl-3-amide
  作者：Peter B. Hitchcock、Michael F. Lappert、Marcus Layh

  DOI：10.1039/b103553n

  日期：——

  The insertion of ArNC (Ar = 2,6-Me2C6H3) or ButNC into the Li–C bond of [LiC(H)(R)R′}] (R = SiMe3, R′ = R or Ph) led to (i) the lithium 1-azaallyls [LiN(R″)C(R)C(H)R′}(tmen)] (6a R′ = R, R″ = Ar; 6b R′ = Ph, R″ = Ar; 6c R′ = Ph, R″ = But), (ii) the lithium β-diketiminates [LiN(But)C(R)C(H)C(R)NBut}][(LiCHR2)(CNBut)] 1, LiN(Ar)C(R)C(H)C(R)N(Ar)} 2 and [LiN(Ar)C(R)C(H)C(Ph)N(R)}(tmen)] 7 (from 6a and PhCN), or (iii) the lithium amide [LiN(Ar)C(R)C[N(Ar)]C(H)Ph}(tmen)] 8. Treatment of the lithium β-diketiminates 1 and 2 with ZrCl4 yielded the complexes [ZrCl3N(But)C(R)C(H)C(R)NBut}] 3 or [ZrN(Ar)C(R)C(H)C(R)N(Ar)}Cl2(μ-Cl)2Li(OEt2)2] 4, while reaction of the lithium compounds 2 or 8 with MeOH gave in high yield the conjugate acids of the corresponding anions [HN(Ar)C(R)C(H)C(R)NAr] 5 or [HN(Ar)C(R)CN(Ar)}C(H)Ph] 9. Each of the compounds 1–9 was fully characterised by multinuclear NMR spectroscopy, mass spectrometry and microanalysis, while X-ray diffraction data are also provided for the complexes 4, 6b and 8.

  将 ArNC（Ar = 2,6-Me2C6H3）或 ButNC 插入[LiC(H)(R)Râ²}]（R = SiMe3，Râ²Â = R 或 Ph）的 LiâC 键导致 (i) 1-氮杂烯丙基锂[LiN(Râ³)C(R)C(H)Râ²}(tmen)]（6a Râ²Â = R，Râ³Â = Ar；6b Râ²Â = Ph, Râ³Â = Ar；6c Râ²Â = Ph, Râ³Â = But），(ii) δ-二酮酸锂[LiN(But)C(R)C(H)C(R)NBut}][(LiCHR2)(CNBut)] 1、LiN(Ar)C(R)C(H)C(R)N(Ar)} 2 和 [LiN(Ar)C(R)C(H)C(Ph)N(R)}(tmen)] 7（由 6a 和 PhCN 制得），或 (iii) 锂酰胺 [LiN(Ar)C(R)C[N(Ar)]C(H)Ph}(tmen)] 8。8.用 ZrCl4 处理δ-二酮亚胺锂 1 和 2，可得到络合物 [ZrCl3N(But)C(R)C(H)C(R)NBut}] 3 或 [ZrN(Ar)C(R)C(H)C(R)N(Ar)}Cl2(δ-Cl)2Li(OEt2)2] 4、而将锂化合物 2 或 8 与 MeOH 反应，可以高产率地得到相应阴离子的共轭酸 [HN(Ar)C(R)C(H)C(R)C(R)NAr] 5 或 [HN(Ar)C(R)CN(Ar)}C(H)Ph] 9。每种化合物 1â9 都通过多核核磁共振光谱、质谱和显微分析进行了全面表征，同时还提供了复合物 4、6b 和 8 的 X 射线衍射数据。