1,3-dichloro-1,3-bis(dipropylamino)-1,3-diboroxane | 189264-94-6

• 分子结构分类: 有机化合物 - 有机盐 - 有机金属盐
• 英文名称: 1,3-dichloro-1,3-bis(dipropylamino)-1,3-diboroxane
• 英文别名: N-[chloro-[chloro-(dipropylamino)boranyl]oxyboranyl]-N-propylpropan-1-amine
• CAS: 189264-94-6
• 化学式: C₁₂H₂₈B₂Cl₂N₂O
• 分子量: 308.895
• InChiKey: LJBIMRNDKMSVQR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.69
• 重原子数：
  19.0
• 可旋转键数：
  12.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  15.71
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为产物：
  描述：

  二氯(二丙基氨基)硼烷 、 水 在 NEt₃ 作用下， 以 乙醚 为溶剂， 以5%的产率得到1,3-dichloro-1,3-bis(dipropylamino)-1,3-diboroxane
  参考文献：
  名称：

  Bis(diorganylamino)dihalodiboroxanes as Building Blocks for Boron Heterocycles

  摘要：

  Bis(diorganylamino)dihalo-1,3-diboroxanes 1 result from the controlled hydrolysis of (diorganylamino)dihaloboranes substituted with bulky dialkyl- or alkylarylamino groups. Dehalogenation with sodium/potassium alloy gives 1,4-dioxa-2,3,5,6-tetraborinanes 3 and, in the case of the di(s-butyl)amino groups, the corresponding oxadiborirane 4. If the dehalogenation is carried out in the presence of bi- or tricyclic aromatic compounds, addition of a B(NR2)OB(NR2) moiety is observed, and the corresponding 1,3-(1,2-dihydronaphthaline-1,2-diyl)diboroxane (5), 1,3-(9,10-dihydroanthracene-9,10-diyl)diboroxane (6), and 1,3-(9,-10-dihydrophenanthrene-9,10-diyl)diboroxane (7) species are obtained. The compounds were characterized by NMR spectroscopy (H-1, B-11, C-13), MS (EI and FI), and elemental analyses. X-ray crystal structure determinations are presented for 1a, 3a, 5a, and 6b.

  DOI：

  10.1021/om960933x