(Z)-4-[2,4,6-tris[bis(trimethylsilyl)methyl]anilino]pent-3-en-2-one | 926625-25-4

• 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: (Z)-4-[2,4,6-tris[bis(trimethylsilyl)methyl]anilino]pent-3-en-2-one
• CAS: 926625-25-4
• 化学式: C₃₂H₆₇NOSi₆
• 分子量: 650.403
• InChiKey: QIPVPVWRSCWOHM-FLFQWRMESA-N

物化性质

• 熔点：
  179-181 °C(Solv: chloroform (67-66-3); acetonitrile (75-05-8))
• 沸点：
  563.1±50.0 °C(Predicted)
• 密度：
  0.893±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  11.11
• 重原子数：
  40
• 可旋转键数：
  12
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.72
• 拓扑面积：
  29.1
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  (Z)-4-[2,4,6-tris[bis(trimethylsilyl)methyl]anilino]pent-3-en-2-one 在 正丁基锂 、 thallium chloride 作用下， 以 乙醚 、 甲苯 为溶剂， 生成
  参考文献：
  名称：

  A Monomeric, Donor-free Lithium Complex with a New Overcrowded β-Diketiminato Ligand

  摘要：

  合成并分离出了锂与一种新的过挤 β-二酮类配体 [Li{TbtNC(Me)CHC(Me)NMes}] （Tbt = 2,4,6-[CH(SiMe3)2]3C6H2，Mes = mesityl）的单体、无供体配合物的无色晶体。X 射线结构分析揭示了它的独特结构，并将其与供体配位的 β-二酮酸锂进行了比较。

  DOI：

  10.1246/cl.2004.134
• 作为产物：
  描述：

  1-bromo-2,4,6-tris[bis(trimethylsilyl)methyl]benzene 在 盐酸 、 lithium aluminium tetrahydride 、 叔丁基锂 作用下， 以 四氢呋喃 、 乙醚 、 甲苯 、 正戊烷 为溶剂， 反应 33.0h， 生成 (Z)-4-[2,4,6-tris[bis(trimethylsilyl)methyl]anilino]pent-3-en-2-one
  参考文献：
  名称：

  Synthesis and properties of alkaline metal complexes with new overcrowded β-diketiminato ligands

  摘要：

  Enaminoimines TbtNHC(Me)CHC(Me)NAr (5, Tbt = 2,4,6-[CH(SiMe3)(2)]C6H2) bearing a Tbt group were synthesized by the two steps condensation of acetylacetone with bulky amines. Enaminoimines 5 were treated with n-BuLi to give the corresponding lithium beta-diketiminates, [Li{TbtNHC(Me)CHC(Me)NAr}] (1). The X-ray structural analysis of [Li{TbtNC(Me)CHC(Me)NMes}] (1c, Mes = mesityl) revealed that it is a monomeric, solvent-free lithium beta-diketiminate. The equilibrium between free 1c plus THF and THF-coordinated (1c - thf) was investigated in detail by the determination of the association constant (K-a) in C6D6 at 293 K and the Job's plot. The heavier alkali metal complexes, sodium and potassium beta-diketiminates (6c-9c), were prepared by the two routes. THF-coordinated [M{TbtNC(Me)CHC(Me)NMes}(thf)] (6c: M = Na. 7c: M = K) were prepared by the reaction of 5c (Ar = Mes) with MH (M = Na, K). Solvent-free [M{TbtNC(Me)CHC(Me)NMes}] (8c: M = Na. 9c: M = K) were prepared by the reaction of 1c with t-BuOM (M = Na, K). (c) 2006 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2006.08.055

文献信息

• SYNTHESIS OF A CHELATE RING COMPOUND CONTAINING A LITHIUM ATOM BY TAKING ADVANTAGE OF A NEW UNSYMMETRICAL β-DIKETIMINATE LIGAND BEARING BULKY SUBSTITUENTS
  作者：Nobuhiro Takeda、Hirofumi Hamaki、Norihiro Tokitoh

  DOI：10.1080/10426500490426665

  日期：2004.4.1

  A new lithium β-diketiminate bearing bulky substituents was synthesized, and its structure was determined by NMR spectroscopy and x-ray structural analysis.

  合成了一种带有大取代基的新型β-二酮亚胺锂，并通过核磁共振光谱和X射线结构分析确定了其结构。
• Synthesis and properties of alkaline metal complexes with new overcrowded β-diketiminato ligands
  作者：Hirofumi Hamaki、Nobuhiro Takeda、Takayuki Yamasaki、Takahiro Sasamori、Norihiro Tokitoh

  DOI：10.1016/j.jorganchem.2006.08.055

  日期：2007.1

  Enaminoimines TbtNHC(Me)CHC(Me)NAr (5, Tbt = 2,4,6-[CH(SiMe3)(2)]C6H2) bearing a Tbt group were synthesized by the two steps condensation of acetylacetone with bulky amines. Enaminoimines 5 were treated with n-BuLi to give the corresponding lithium beta-diketiminates, [LiTbtNHC(Me)CHC(Me)NAr}] (1). The X-ray structural analysis of [LiTbtNC(Me)CHC(Me)NMes}] (1c, Mes = mesityl) revealed that it is a monomeric, solvent-free lithium beta-diketiminate. The equilibrium between free 1c plus THF and THF-coordinated (1c - thf) was investigated in detail by the determination of the association constant (K-a) in C6D6 at 293 K and the Job's plot. The heavier alkali metal complexes, sodium and potassium beta-diketiminates (6c-9c), were prepared by the two routes. THF-coordinated [MTbtNC(Me)CHC(Me)NMes}(thf)] (6c: M = Na. 7c: M = K) were prepared by the reaction of 5c (Ar = Mes) with MH (M = Na, K). Solvent-free [MTbtNC(Me)CHC(Me)NMes}] (8c: M = Na. 9c: M = K) were prepared by the reaction of 1c with t-BuOM (M = Na, K). (c) 2006 Elsevier B.V. All rights reserved.
• A Monomeric, Donor-free Lithium Complex with a New Overcrowded β-Diketiminato Ligand
  作者：Nobuhiro Takeda、Hirofumi Hamaki、Norihiro Tokitoh

  DOI：10.1246/cl.2004.134

  日期：2004.2

  A monomeric, donor-free complex of lithium with a new overcrowded β-diketiminato ligand, [LiTbtNC(Me)CHC(Me)NMes}] (Tbt = 2,4,6-[CH(SiMe3)2]3C6H2, Mes = mesityl), was synthesized and isolated as colorless crystals. Its unique structure was revealed by X-ray structural analysis to be compared with those of donor-coordinated lithium β-diketiminates.

  合成并分离出了锂与一种新的过挤 β-二酮类配体 [LiTbtNC(Me)CHC(Me)NMes}] （Tbt = 2,4,6-[CH(SiMe3)2]3C6H2，Mes = mesityl）的单体、无供体配合物的无色晶体。X 射线结构分析揭示了它的独特结构，并将其与供体配位的 β-二酮酸锂进行了比较。