(BPh3)*(C{(NMesityl)N(CHCH)N(CH2CH2NHt-Bu)}) | 1354047-47-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: (BPh3)*(C{(NMesityl)N(CHCH)N(CH2CH2NHt-Bu)})
• 英文别名: Ph3B(C((N-mesityl)N(CHCH)N(CHCH2NH-t-Bu)))；[1-[2-(Tert-butylamino)ethyl]-3-(2,4,6-trimethylphenyl)imidazol-1-ium-2-yl]-triphenylboranuide
• CAS: 1354047-47-4
• 化学式: C₃₆H₄₂BN₃
• 分子量: 527.561
• InChiKey: XQRRRGHKGGAPTO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.46
• 重原子数：
  40
• 可旋转键数：
  9
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  20.8
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  (BPh3)*(C{(NMesityl)N(CHCH)N(CH2CH2NHt-Bu)}) 、 4-溴苯胺 在 palladium diacetate 作用下， 以 水 、 甲苯 为溶剂， 反应 18.0h， 以47%的产率得到4-氨基联苯
  参考文献：
  名称：

  Subtle Reactivities of Boron and Aluminum Complexes with Amino-Linked N-Heterocyclic Carbene Ligation

  摘要：

  This paper describes the synthesis and characterization of trimethylaluminum (2a), dimethylaluminum (3a), and triphenylboron complexes (7) supported by functional amine-linked NHC ligands. The chemical reactivity studies with carbodiimide and isocyanate were preformed with 2a and 3a, illustrating the noninnocent nature in Al-carbene bonding. However, the boron-carbene interaction is quite robust against addition of these substrates even at higher temperature conditions. The subtle difference in chemical reactivity between aluminum and boron is attributed from the metal-carbene bond covalency. Development of the catalytic method for Suzuki-Miyaura coupling utilizing triphenylboron reagent supported by amino-NHC is also presented.

  DOI：

  10.1021/om200878e
• 作为产物：
  描述：

  三苯基硼烷 、 N-(2-(3-mesityl-2,3-dihydro-1H-imidazol-1-yl)ethyl)-2-methylpropan-2-amine 以 四氢呋喃 为溶剂， 以77%的产率得到(BPh3)*(C{(NMesityl)N(CHCH)N(CH2CH2NHt-Bu)})
  参考文献：
  名称：

  Subtle Reactivities of Boron and Aluminum Complexes with Amino-Linked N-Heterocyclic Carbene Ligation

  摘要：

  This paper describes the synthesis and characterization of trimethylaluminum (2a), dimethylaluminum (3a), and triphenylboron complexes (7) supported by functional amine-linked NHC ligands. The chemical reactivity studies with carbodiimide and isocyanate were preformed with 2a and 3a, illustrating the noninnocent nature in Al-carbene bonding. However, the boron-carbene interaction is quite robust against addition of these substrates even at higher temperature conditions. The subtle difference in chemical reactivity between aluminum and boron is attributed from the metal-carbene bond covalency. Development of the catalytic method for Suzuki-Miyaura coupling utilizing triphenylboron reagent supported by amino-NHC is also presented.

  DOI：

  10.1021/om200878e