4,8-di-tert-butyl-2,6-dimethyl-1,5-diaza-2,6-diborabicyclo[3.3.0]octa-3,7-diene | 277298-45-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 氮杂环化合物
• 英文名称: 4,8-di-tert-butyl-2,6-dimethyl-1,5-diaza-2,6-diborabicyclo[3.3.0]octa-3,7-diene
• 英文别名: 3,7-Ditert-butyl-1,5-dimethyldiazaborolo[2,1-a]diazaborole；3,7-ditert-butyl-1,5-dimethyldiazaborolo[2,1-a]diazaborole
• CAS: 277298-45-0
• 化学式: C₁₄H₂₆B₂N₂
• 分子量: 243.996
• InChiKey: STLYHTBVTCLLSY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.71
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  6.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  4,8-di-tert-butyl-2,6-dichloro-1,5-diaza-2,6-diborabicyclo[3.3.0]octa-3,7-diene 、 甲基锂 以 乙醚 、 正己烷 为溶剂， 以53%的产率得到4,8-di-tert-butyl-2,6-dimethyl-1,5-diaza-2,6-diborabicyclo[3.3.0]octa-3,7-diene
  参考文献：
  名称：

  1,5-Diaza-2,6-diborabicyclo[3.3.0]octadienes:  Products of the Reactions of Trihaloboranes with Ketazines

  摘要：

  The 1,5-diazonia-2,6-diboratabicyclo[3.3.0]octa-1(8),4-dienes 1-4 were prepared from dilithiated ketazines and trihaloboranes, BX3 (X = F, Cl, Br, I). Upon elimination of HX the corresponding 1,5-diaza-2,6-diborabicyclo[3.3.0]octa-3,7-dienes were formed and compounds 5 and 6 (X = Cl, Br) were isolated. Treatment of 5 with MeLi and (BuOLi)-Bu-t, respectively, gave 10 and 11. Monocyclic 1,2,3-azaazoniaborata-5-cyclopentenes (7-9: X = F, Cl, Br) resulted from monolithiated ketazines and BX3. The compounds were characterized by NMR spectroscopy (H-1, B-11, C-13, F-19), MS, and elemental analyses (CH). X-ray crystal structure determinations are presented for 1-4 and 11.

  DOI：

  10.1021/om0001164

文献信息

• 1,5-Diaza-2,6-diborabicyclo[3.3.0]octadienes:  Products of the Reactions of Trihaloboranes with Ketazines
  作者：Thomas Groh、Gernot Elter、Mathias Noltemeyer、Hans-Georg Schmidt、Anton Meller

  DOI：10.1021/om0001164

  日期：2000.6.1

  The 1,5-diazonia-2,6-diboratabicyclo[3.3.0]octa-1(8),4-dienes 1-4 were prepared from dilithiated ketazines and trihaloboranes, BX3 (X = F, Cl, Br, I). Upon elimination of HX the corresponding 1,5-diaza-2,6-diborabicyclo[3.3.0]octa-3,7-dienes were formed and compounds 5 and 6 (X = Cl, Br) were isolated. Treatment of 5 with MeLi and (BuOLi)-Bu-t, respectively, gave 10 and 11. Monocyclic 1,2,3-azaazoniaborata-5-cyclopentenes (7-9: X = F, Cl, Br) resulted from monolithiated ketazines and BX3. The compounds were characterized by NMR spectroscopy (H-1, B-11, C-13, F-19), MS, and elemental analyses (CH). X-ray crystal structure determinations are presented for 1-4 and 11.