1,3-diisopropyl-2-(2,2,6,6-tetramethylpiperidino)benzo-1,3,2-diphosphaborolane | 199680-07-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: 1,3-diisopropyl-2-(2,2,6,6-tetramethylpiperidino)benzo-1,3,2-diphosphaborolane
• 英文别名: 1-[1,3-di(propan-2-yl)-1,3,2-benzodiphosphaborol-2-yl]-2,2,6,6-tetramethylpiperidine
• CAS: 199680-07-4
• 化学式: C₂₁H₃₆BNP₂
• 分子量: 375.282
• InChiKey: ATHIMHBKUOMKNT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.76
• 重原子数：
  25.0
• 可旋转键数：
  3.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  3.24
• 氢给体数：
  0.0
• 氢受体数：
  1.0

反应信息

• 作为产物：
  描述：

  1,2-bis-(2-propylphosphino)benzene 、 二氯-(2,2,6,6-四甲基哌啶-1-基)硼烷 在 BuLi 作用下， 以 正己烷 为溶剂， 以62%的产率得到1,3-diisopropyl-2-(2,2,6,6-tetramethylpiperidino)benzo-1,3,2-diphosphaborolane
  参考文献：
  名称：

  Contribution to the Chemistry of Boron, 240 . Studies on Benzo‐1,3,2‐diphosphaborolanes, Benzo‐1,4,2,3‐diphosphadiborinanes and Benzo‐1,5,2,3,4‐diphosphatriborepanes

  摘要：

  AbstractA series of benzo‐ 1,3,3‐diphosphaborolanes C6H4(PR)2BR' (R = H, iPr, SiMe3; R' = R2N, R) has been prepared by several routes and characterized by spectroscopic and – in part – by X‐ray diffraction methods. They feature pyramidal P atoms with the substituents in antiperiplanar positions. The P atoms act as coordination sites for the (CO)5Cr fragment. In contrast to the R2N‐bearing benzo‐1,3,2‐diphosphaborolanes, the derivative C6H4(PH)2BCMe3 (4f) dimerizes by additional B–P bond formation to produce a pentacyclic system (4f)2. – The reaction of C6H4(PHNa)2 with B2(NMe2)2Cl2 in THF/hexane yields the acyclic phosphanylborane Me2NB(PH–C6H4PH2)2 (15). However, if C6H4[P(iPr)Li]2 is allowed to react with B2(NMe2)2Cl2, the benzo‐1,4,2,3‐diphosphadiborinane 13 is obtained, together with its rearrangement product 2‐bis(dimethylamino)borylbenzo‐1,3,2‐diphosphaborolane 14 which dimerizes to (14)2. — In contrast, the almost planar ring of the 2,3‐dimesitylbenzo‐1,4,2,3‐diphosphadiborinane (16) possesses P and B atoms with a planar geometry. Short B–B and B–P bonds suggest that this new heterocycle can be regarded as a 6π electron system. Moreover, the benzo‐1,5,2,3,4‐diphosphatriborepane 18 forms readily forms readily from C6H4(PHNa)2 and Br(Me2N)B–B(N‐Me2)–B(NMe2) Br to give a tub‐shaped seven‐membered C2B3P2 ring system with the P atoms in a pyramidal and the B atoms in a planar environment.

  DOI：

  10.1002/cber.19971301120