bromobis(2,4,6-trimethylborazinyl)phosphane | 1064704-42-2

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: bromobis(2,4,6-trimethylborazinyl)phosphane
• 英文别名: (Me3(B3N3H2))2PBr
• CAS: 1064704-42-2
• 化学式: C₆H₂₂B₆BrN₆P
• 分子量: 354.025
• InChiKey: XIMBQBWGWNABKH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.31
• 重原子数：
  20.0
• 可旋转键数：
  2.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  54.6
• 氢给体数：
  4.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  bromobis(2,4,6-trimethylborazinyl)phosphane 在 lithium aluminium tetrahydride 作用下， 以 乙醚 、 正己烷 为溶剂， 以75%的产率得到bis(2,4,6-trimethylborazinyl)phosphane
  参考文献：
  名称：

  N ‐(2,4,6‐Trimethylborazinyl)‐Substituted Phosphanes, Arsanes, and Stibanes

  摘要：

  AbstractReaction of the N‐lithioborazine LiH2N3B3Me3·OEt2 (2) in diethyl ether with PCl3 or PBr3 leads to the borazinylphosphanes (Me3B3N3H2)PX2, (Me3B3N3H2)2PX (X = Cl, Br), and (Me3B3N3H2)3P, depending on the initial stoichiometry. The analogous arsane and stibane derivatives were obtained in a similar manner. While (Me3B3N3H2)2PBr is reduced byLiAlH4 in diethyl ether/hexane to give the monophosphane (Me3B3N3H2)2PH (13), the reaction of (Me3B3N3H2)PBr2 (5) with LiAlH4 in diethyl ether/hexane produces the zwitterionic compound [Me3B3N2(HN)]–P+H2Et (14). Dehalogenation of (Me3B3N3H2)2PBr (6) with Na yields the diphosphane (Me3B3N3H2)2PP(H2N3B3Me3)2 (18), while the mixed diphosphane (Me3B3N3H)2PPmes2 (17) is obtained from 6 and LiPmes2. Dehalogenation of Me3B3N3H2PBr2 with Na results in the exclusive formation of (Me3B3N3H2)4P4 (19), while the reaction of 5 with Li2Pmes leads to a mixture of cyclotetraphosphanes (mes)4–n(Me3B3N3H2)nP4 (A–F) along with bicyclic P4mes2. The new compounds have been characterized by NMR and IR spectroscopy and partly by mass spectrometry. X‐ray structures for compounds, 4, 5, 6, 9, 13, 14, 17, 18, 19, and E have been determined. All show different B–N bond lengths within the borazine rings, and some have borazine rings in a half‐chair conformation.(© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2007)

  DOI：

  10.1002/ejic.200601001
• 作为产物：
  描述：

  N-lithio-2,4,6-trimethylborazine 在 三溴化磷 作用下， 以 乙醚 、 正己烷 为溶剂， 以80%的产率得到bromobis(2,4,6-trimethylborazinyl)phosphane
  参考文献：
  名称：

  N ‐(2,4,6‐Trimethylborazinyl)‐Substituted Phosphanes, Arsanes, and Stibanes

  摘要：

  AbstractReaction of the N‐lithioborazine LiH2N3B3Me3·OEt2 (2) in diethyl ether with PCl3 or PBr3 leads to the borazinylphosphanes (Me3B3N3H2)PX2, (Me3B3N3H2)2PX (X = Cl, Br), and (Me3B3N3H2)3P, depending on the initial stoichiometry. The analogous arsane and stibane derivatives were obtained in a similar manner. While (Me3B3N3H2)2PBr is reduced byLiAlH4 in diethyl ether/hexane to give the monophosphane (Me3B3N3H2)2PH (13), the reaction of (Me3B3N3H2)PBr2 (5) with LiAlH4 in diethyl ether/hexane produces the zwitterionic compound [Me3B3N2(HN)]–P+H2Et (14). Dehalogenation of (Me3B3N3H2)2PBr (6) with Na yields the diphosphane (Me3B3N3H2)2PP(H2N3B3Me3)2 (18), while the mixed diphosphane (Me3B3N3H)2PPmes2 (17) is obtained from 6 and LiPmes2. Dehalogenation of Me3B3N3H2PBr2 with Na results in the exclusive formation of (Me3B3N3H2)4P4 (19), while the reaction of 5 with Li2Pmes leads to a mixture of cyclotetraphosphanes (mes)4–n(Me3B3N3H2)nP4 (A–F) along with bicyclic P4mes2. The new compounds have been characterized by NMR and IR spectroscopy and partly by mass spectrometry. X‐ray structures for compounds, 4, 5, 6, 9, 13, 14, 17, 18, 19, and E have been determined. All show different B–N bond lengths within the borazine rings, and some have borazine rings in a half‐chair conformation.(© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2007)

  DOI：

  10.1002/ejic.200601001