PhB(CH(CH3)C(CH3)CHN(tBu)) | 1027098-29-8

• 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: PhB(CH(CH3)C(CH3)CHN(tBu))
• 英文别名: 1-tert-butyl-3,4-dimethyl-2-phenyl-3H-azaborole
• CAS: 1027098-29-8
• 化学式: C₁₅H₂₂BN
• 分子量: 227.157
• InChiKey: YHKUTAJYPRSBAD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.29
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  3.2
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  PhB(CH(CH3)C(CH3)CHN(tBu)) 、 lithium diisopropyl amide 以 not given 为溶剂， 生成 Li[Me2PhC3H2BN(tBu)]
  参考文献：
  名称：

  Anionic Multisubstituted 1,2-Azaborolyl Ligands: Syntheses, Characterization, and Coordination Chemistry

  摘要：

  Two synthetic methods for the preparation of tri- or tetrasubstituted 1,2-azaborolyls (Ab) are described. Both tri- and tetrasubstituted Ab rings can be conveniently attained via either dilithiation-directed or Cp(2)Zr(II)-mediated cyclization followed by transmetalation in good yields. In particular, anionic 1,2,4-trimethyl-1,2-azaborolyl and 1,2,3,4-tetramethyl-1,2-azaborolyl, readily prepared through our methods, have been demonstrated as good supporting ancillary ligands in group IV metal complexes.

  DOI：

  10.1021/om8001075
• 作为产物：
  描述：

  Cp2Zr(CH(CH3)C(CH3)CHN(tBu)) 、 二氯苯酚溴酯 以 not given 为溶剂， 生成 PhB(CH(CH3)C(CH3)CHN(tBu))
  参考文献：
  名称：

  Anionic Multisubstituted 1,2-Azaborolyl Ligands: Syntheses, Characterization, and Coordination Chemistry

  摘要：

  Two synthetic methods for the preparation of tri- or tetrasubstituted 1,2-azaborolyls (Ab) are described. Both tri- and tetrasubstituted Ab rings can be conveniently attained via either dilithiation-directed or Cp(2)Zr(II)-mediated cyclization followed by transmetalation in good yields. In particular, anionic 1,2,4-trimethyl-1,2-azaborolyl and 1,2,3,4-tetramethyl-1,2-azaborolyl, readily prepared through our methods, have been demonstrated as good supporting ancillary ligands in group IV metal complexes.

  DOI：

  10.1021/om8001075

文献信息

• Anionic Multisubstituted 1,2-Azaborolyl Ligands: Syntheses, Characterization, and Coordination Chemistry
  作者：Xiangdong Fang、Jalil Assoud

  DOI：10.1021/om8001075

  日期：2008.6.9

  Two synthetic methods for the preparation of tri- or tetrasubstituted 1,2-azaborolyls (Ab) are described. Both tri- and tetrasubstituted Ab rings can be conveniently attained via either dilithiation-directed or Cp(2)Zr(II)-mediated cyclization followed by transmetalation in good yields. In particular, anionic 1,2,4-trimethyl-1,2-azaborolyl and 1,2,3,4-tetramethyl-1,2-azaborolyl, readily prepared through our methods, have been demonstrated as good supporting ancillary ligands in group IV metal complexes.