4,6-Ditert-butyl-1',3'-bis[2,6-di(propan-2-yl)phenyl]-4'-methyl-6'-methylidenespiro[1,3,2-benzodioxasilole-2,2'-1,3,2-diazasiline] | 1313053-32-5

• 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: 4,6-Ditert-butyl-1',3'-bis[2,6-di(propan-2-yl)phenyl]-4'-methyl-6'-methylidenespiro[1,3,2-benzodioxasilole-2,2'-1,3,2-diazasiline]
• 英文别名: 4,6-ditert-butyl-1',3'-bis[2,6-di(propan-2-yl)phenyl]-4'-methyl-6'-methylidenespiro[1,3,2-benzodioxasilole-2,2'-1,3,2-diazasiline]
• CAS: 1313053-32-5
• 化学式: C₄₃H₆₀N₂O₂Si
• 分子量: 665.047
• InChiKey: HGYUFIONCVQNRO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  12.43
• 重原子数：
  48
• 可旋转键数：
  8
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.49
• 拓扑面积：
  24.9
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  1,3-bis-(2,6-diisopropyl-phenyl)-6-methyl-4-methylene-1,2,3,4-tetrahydro-[1,3,2]diazasiline 、 3,5-二叔丁基邻苯醌 以 甲苯 、 正戊烷 为溶剂， 反应 12.0h， 以78%的产率得到4,6-Ditert-butyl-1',3'-bis[2,6-di(propan-2-yl)phenyl]-4'-methyl-6'-methylidenespiro[1,3,2-benzodioxasilole-2,2'-1,3,2-diazasiline]
  参考文献：
  名称：

  Reactions of StableN-Heterocyclic Silylenes with Ketones and 3,5-Di-tert-butyl-o-benzoquinone

  摘要：

  The reactions of L [PhC(NtBu)(2)SiCl] and L' [CH{(C=CH2)(CMe)(2,6-iPr(2)C(6)H(3)N)(2)}Si] with monoketones and quinone have been examined. The reaction of L with 2-adamantanone furnishes a [1 + 2]-cycloaddition product 1, whereas with 3,5-di-tert-butyl-o-benzoquinone leads to the [1 + 4]-ycloaddition product 2. The treatment of L' with 3,5-di-tert-butyl-o-benzoquinone gives [1 + 4]-cycloaddition product 3, and the reaction with acylferrocene yields compound 4. Compounds 1-4 were characterized by single crystal X-ray structural analysis, NMR spectroscopy, EI-MS spectrometry, and elemental analysis.

  DOI：

  10.1021/om200388a

文献信息

• Reactions of Stable<i>N</i>-Heterocyclic Silylenes with Ketones and 3,5-Di-<i>tert</i>-butyl-<i>o</i>-benzoquinone
  作者：Ramachandran Azhakar、Rajendra S. Ghadwal、Herbert W. Roesky、Jakob Hey、Dietmar Stalke

  DOI：10.1021/om200388a

  日期：2011.7.25

  The reactions of L [PhC(NtBu)(2)SiCl] and L' [CH(C=CH2)(CMe)(2,6-iPr(2)C(6)H(3)N)(2)}Si] with monoketones and quinone have been examined. The reaction of L with 2-adamantanone furnishes a [1 + 2]-cycloaddition product 1, whereas with 3,5-di-tert-butyl-o-benzoquinone leads to the [1 + 4]-ycloaddition product 2. The treatment of L' with 3,5-di-tert-butyl-o-benzoquinone gives [1 + 4]-cycloaddition product 3, and the reaction with acylferrocene yields compound 4. Compounds 1-4 were characterized by single crystal X-ray structural analysis, NMR spectroscopy, EI-MS spectrometry, and elemental analysis.