[(2,6-iPr₂C₆H₃)NC(Me)C(Me)N(2,6-iPr2C₆H₃)BCl] | 1424662-36-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: [(2,6-iPr₂C₆H₃)NC(Me)C(Me)N(2,6-iPr2C₆H₃)BCl]
• 英文别名: 2-Chloro-1,3-bis[2,6-di(propan-2-yl)phenyl]-4,5-dimethyl-1,3,2-diazaborole
• CAS: 1424662-36-1
• 化学式: C₂₈H₄₀BClN₂
• 分子量: 450.903
• InChiKey: NEEXYWVSOPFFBB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.98
• 重原子数：
  32
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  6.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  2-N,3-N-bis[2,6-di(propan-2-yl)phenyl]but-2-ene-2,3-diamine 以 乙醚 、 正己烷 为溶剂， 反应 14.0h， 生成 [(2,6-iPr₂C₆H₃)NC(Me)C(Me)N(2,6-iPr2C₆H₃)AlCl₂][AlCl₄] 、 [(2,6-iPr₂C₆H₃)NC(Me)C(Me)N(2,6-iPr2C₆H₃)BCl]
  参考文献：
  名称：

  Synthesis and Reactions of a Redox-Active α-Diimine Aluminum Complex

  摘要：

  The reaction of the ene-diamine LH2 (L = [ArNC(Me)C(Me)NAr](2-), Ar = 2,6-iPr(2)C(6)H(3)) with AlMe3 and AlEt3 yielded the aluminum dimethyl complex (LH)AlMe2 (1) and the radical (L-center dot)AlEt2 (2; L-center dot = [ArNC(Me)C(Me)-NAr](center dot-)), respectively. Treatment of 2 with O-2 and TEMPO (2,2,6,6-tetramethylpiperidin-l-oxyl) led to hydrogen abstraction from the methyl group at the ligand backbone to give the diamagnetic species (L*)AlEt2 (3; L* = [ArN= C(Me)C(CH2)NAr](-)) and (L*)Al(TEMPO)(Et) (4). In contrast, the reaction of 2 with iodine resulted in the iodination of the Al-C bonds and yielded the radical (L-center dot)AlI2 (5). Reaction of 2 with BCl3 led to electron transfer between the alpha-diimine radicals with the formation of the aluminum cation [(L-0)AlCl2](+)[AlCl4](-) (6; L-0 = ArN=C(Me)(Me)C=NAr) and the diazaborole LBCl (7). The structures of compounds 2, 3, and 7 have been determined by X-ray single-crystal diffraction, and the paramagnetic species 2 has been characterized by EPR measurements.

  DOI：

  10.1021/om300920y