Tert-butylboranuide | 89556-25-2

• 分子结构分类: 有机化合物 - 碳氢化合物衍生物
• 英文名称: Tert-butylboranuide
• CAS: 89556-25-2
• 化学式: C₄H₁₂B
• 分子量: 70.9503
• InChiKey: OKPFFSGCTBMAGS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.57
• 重原子数：
  5
• 可旋转键数：
  0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  四氢吡喃 、 closo-B4H2((t)Bu)4 、 氢化钾 在 heamethyldisilazane 作用下， 以 further solvent(s) 为溶剂， 生成 Tert-butylboranuide 、 [K(tetrahydropyrane)6][B4H3(t)Bu4]
  参考文献：
  名称：

  Novel tetraalkyltetraboranes of the type B4R4, B4H2R4 and B4H4R4

  摘要：

  The reduction of RBHal(2) (Hal = F, Cl, Br) with Na/K alloy gives the tetraboranes B4R4, B4H2R4 or their mixtures, depending on temperature, reaction time and solvent. We describe here (B4Bu4)-Bu-t, B-4((CH2Bu)-Bu-t)(4) (B4H2Bu4)-Bu-t, B4H2((CH2Bu)-Bu-t)(4) and B4H2(CMe2Et)(4). (B4Bu2)-Bu-t((CH2Bu)-Bu-t)(2) is formed by reducing the diborane Cl-B(Bu-t)-B((CH2Bu)-Bu-t)-Cl with Li. The conversion of (B4H2Bu4)-Bu-t into (B4H4Bu4)-Bu-t proceeds in three steps: (i) reduction (-->[(B4H2Bu4)-Bu-t](2-)); (ii)first protonation (-->[(B4H3Bu4)-Bu-t](-)), and (iii) second protonation (-->(B4H4Bu4)-Bu-t). The hypercloso-species B4R4 have: tetrahedral structures. The two opposite edges of a B-4 tetrahedron of the closo-B4H2R4 are bridged by H atoms (D-2d). The nido-species have a bicyclobutane-type B-4 skeleton; three of the four outside edges are bridged by H atoms; two terminal ligands are bound to one of the B atoms: H in exo- and Bu-t in endo-position (C-1). Structural evidence is based on low-temperature NMR spectra, ab initio geometries, and IGLO(DZ) calculations of the B-11 NMR shifts. Dynamical behavior of bridging H atoms is indicated by the NMR spectra at higher temperature. (C) 1999 Elsevier Science S.A. Pill rights reserved.

  DOI：

  10.1016/s0020-1693(99)00058-4