(diallylamino)divinylborane | 874281-18-2

• 分子结构分类: 有机化合物 - 有机盐 - 有机金属盐
• 英文名称: (diallylamino)divinylborane
• 英文别名: N-bis(ethenyl)boranyl-N-prop-2-enylprop-2-en-1-amine
• CAS: 874281-18-2
• 化学式: C₁₀H₁₆BN
• 分子量: 161.055
• InChiKey: WTIGGLYTWCBBRI-UHFFFAOYSA-N

物化性质

• 沸点：
  38 °C(Press: 0.05 Torr)
• 密度：
  0.792±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  12
• 可旋转键数：
  7
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  3.2
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  (diallylamino)divinylborane 在 Grubbs catalyst first generation lithium diisopropylamide 、 n-BuLi 作用下， 以 乙醚 、 二氯甲烷 、 甲苯 为溶剂， 生成 [1,2]氮杂硼杂苯并[1,2-a][1,2]氮杂硼杂苯
  参考文献：
  名称：

  Syntheses of Ring-Fused B−N Heteroaromatic Compounds

  摘要：

  3a,7a-Azaborindene (14) has been prepared by two multistep syntheses using the Grubbs ring-closing metathesis from appropriate B-vinyl,N-allyl-aminoboranes. 14 was deprotonated by KN(SiMe3)2 to give 3a,7a-azaborindenylpotassium (5). The reaction of 5 with Cp*ZrCl3 afforded the corresponding Zr(IV) complex 18, which on activation with excess methylaluminoxane, forms a good catalyst for the polymerization of ethylene. The reaction of 5 with methylene chloride and BuLi gave 4a,8a-azaboranaphthalene (6), which is isoelectronic and isostructural with naphthalene. DFT calculations on 6 gave a structure that is in good agreement with X-ray diffraction data.

  DOI：

  10.1021/om058048e
• 作为产物：
  描述：

  二丁基(二乙烯基)锡烷 、 三氯化硼 、 二烯丙基胺 在 Et₃N 作用下， 以 正戊烷 为溶剂， 以79%的产率得到(diallylamino)divinylborane
  参考文献：
  名称：

  Syntheses of Ring-Fused B−N Heteroaromatic Compounds

  摘要：

  3a,7a-Azaborindene (14) has been prepared by two multistep syntheses using the Grubbs ring-closing metathesis from appropriate B-vinyl,N-allyl-aminoboranes. 14 was deprotonated by KN(SiMe3)2 to give 3a,7a-azaborindenylpotassium (5). The reaction of 5 with Cp*ZrCl3 afforded the corresponding Zr(IV) complex 18, which on activation with excess methylaluminoxane, forms a good catalyst for the polymerization of ethylene. The reaction of 5 with methylene chloride and BuLi gave 4a,8a-azaboranaphthalene (6), which is isoelectronic and isostructural with naphthalene. DFT calculations on 6 gave a structure that is in good agreement with X-ray diffraction data.

  DOI：

  10.1021/om058048e