Tpy^BN | 1423048-72-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: Tpy^BN
• 英文别名: 4-[6-[6-[6-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]pyridin-2-yl]pyridin-2-yl]morpholine；4-[6-[6-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]pyridin-2-yl]pyridin-2-yl]morpholine
• CAS: 1423048-72-9
• 化学式: C₂₅H₂₉BN₄O₃
• 分子量: 444.341
• InChiKey: UTCOBGKBHDYMDI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.34
• 重原子数：
  33
• 可旋转键数：
  4
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  69.6
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  [VCl3(thf)3] 、 二氯甲烷 、 Tpy^BN 在 1,1'-双(二苯膦基)二茂铁二氯化钯(II)二氯甲烷复合物 、 potassium carbonate 作用下， 以 乙醚 、 乙腈 为溶剂， 反应 3.0h， 以93%的产率得到[V(6-morpholino-2,2′:6′,2″-terpyridine-6″-boronic acid pinacol ester)Cl3]
  参考文献：
  名称：

  A Transition Metal Lewis Acid/Base Triad System for Cooperative Substrate Binding

  摘要：

  A frustrated Lewis pair accessory functionality is positioned in the secondary coordination sphere of a terpyridine ligand (Tpy(BN) = 6-morpholino-2,2':6',2 ''-terpyridine-6 ''-boronic acid pinacol ester) to promote directed Lewis acid/base interactions. Following metalation with VCl3, the utility of the metal Lewis acid/base triad (LABT) is highlighted with N2H4 as a cooperatively coordinated substrate, affording the first eta(2)-[N2H3](-) vanadium complex.

  DOI：

  10.1021/ja400962h
• 作为产物：
  描述：

  2-乙酰基-6-溴吡啶 在 1,1'-双(二苯膦基)二茂铁二氯化钯(II)二氯甲烷复合物 、 ammonium acetate 、 碘 、 potassium carbonate 作用下， 以 1,4-二氧六环 、 甲醇 、 乙醚 、 N,N-二甲基甲酰胺 为溶剂， 反应 20.5h， 生成 Tpy^BN
  参考文献：
  名称：

  A Transition Metal Lewis Acid/Base Triad System for Cooperative Substrate Binding

  摘要：

  A frustrated Lewis pair accessory functionality is positioned in the secondary coordination sphere of a terpyridine ligand (Tpy(BN) = 6-morpholino-2,2':6',2 ''-terpyridine-6 ''-boronic acid pinacol ester) to promote directed Lewis acid/base interactions. Following metalation with VCl3, the utility of the metal Lewis acid/base triad (LABT) is highlighted with N2H4 as a cooperatively coordinated substrate, affording the first eta(2)-[N2H3](-) vanadium complex.

  DOI：

  10.1021/ja400962h

文献信息

• A Transition Metal Lewis Acid/Base Triad System for Cooperative Substrate Binding
  作者：Oscar Tutusaus、Chengbao Ni、Nathaniel K. Szymczak

  DOI：10.1021/ja400962h

  日期：2013.3.6

  A frustrated Lewis pair accessory functionality is positioned in the secondary coordination sphere of a terpyridine ligand (Tpy(BN) = 6-morpholino-2,2':6',2 ''-terpyridine-6 ''-boronic acid pinacol ester) to promote directed Lewis acid/base interactions. Following metalation with VCl3, the utility of the metal Lewis acid/base triad (LABT) is highlighted with N2H4 as a cooperatively coordinated substrate, affording the first eta(2)-[N2H3](-) vanadium complex.