diethyl 5-(2-(2-(2-(2-(3-(benzyloxy)-2-oxopyridin-1(2H)-yl)ethoxy)ethoxy)-5-tert-butylbenzyl)-6-(3-(2-(2-(2-(3-(benzyloxy)-2-oxopyridin-1(2H)-yl)ethoxy)ethoxy)-5-tert-butylbenzyl)-2-(5-(benzyloxyamino)-5-oxopentyloxy)-5-tert-butylbenzyl)-4-tert-butylphenoxy)pentylphosphonate | 1407969-16-7

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二芳基庚烷
• 英文名称: diethyl 5-(2-(2-(2-(2-(3-(benzyloxy)-2-oxopyridin-1(2H)-yl)ethoxy)ethoxy)-5-tert-butylbenzyl)-6-(3-(2-(2-(2-(3-(benzyloxy)-2-oxopyridin-1(2H)-yl)ethoxy)ethoxy)-5-tert-butylbenzyl)-2-(5-(benzyloxyamino)-5-oxopentyloxy)-5-tert-butylbenzyl)-4-tert-butylphenoxy)pentylphosphonate
• 英文别名: 5-[4-tert-butyl-2-[[5-tert-butyl-3-[[5-tert-butyl-2-[2-[2-(2-oxo-3-phenylmethoxypyridin-1-yl)ethoxy]ethoxy]phenyl]methyl]-2-[5-[diethoxy(oxido)phosphaniumyl]pentoxy]phenyl]methyl]-6-[[5-tert-butyl-2-[2-[2-(2-oxo-3-phenylmethoxypyridin-1-yl)ethoxy]ethoxy]phenyl]methyl]phenoxy]-N-phenylmethoxypentanamide
• CAS: 1407969-16-7
• 化学式: C₉₆H₁₂₄N₃O₁₅P
• 分子量: 1591.03
• InChiKey: RFZTWCZSJQMCQH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  20.2
• 重原子数：
  115
• 可旋转键数：
  50
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  194
• 氢给体数：
  1
• 氢受体数：
  15

反应信息

• 作为反应物：
  描述：

  diethyl 5-(2-(2-(2-(2-(3-(benzyloxy)-2-oxopyridin-1(2H)-yl)ethoxy)ethoxy)-5-tert-butylbenzyl)-6-(3-(2-(2-(2-(3-(benzyloxy)-2-oxopyridin-1(2H)-yl)ethoxy)ethoxy)-5-tert-butylbenzyl)-2-(5-(benzyloxyamino)-5-oxopentyloxy)-5-tert-butylbenzyl)-4-tert-butylphenoxy)pentylphosphonate 在 10% Pd/C 、 氢气 作用下， 以 乙醇 为溶剂， 反应 24.0h， 以94%的产率得到diethyl 5-(4-tert-butyl-2-(5-tert-butyl-2-(2-(2-(3-hydroxy-2-oxopyridin-1(2H)-yl)ethoxy)ethoxy)benzyl)-6-(5-tert-butyl-3-(5-tert-butyl-2-(2-(2-(3-hydroxy-2-oxopyridin-1(2H)-yl)ethoxy)ethoxy)benzyl)-2-(5-(hydroxyamino)-5-oxopentyloxy)benzyl)phenoxy)pentylphosphonate
  参考文献：
  名称：

  Synthetic approaches to mixed ligand chelators on tert-butylphenol–formaldehyde oligomer (PFO) platforms

  摘要：

  Synthetic approaches to mixed ligand chelators on readily available tert-butylphenol-formaldehyde oligomer, PFO, scaffolds were examined. In a promising approach, tris and tetraphenol oligomers were selectively mono or di protected using tert-butyldiphenyl silyl chloride. The utility of these protected intermediates to prepare representative mixed PFO chelators, carrying ligands such as hydroxamic acid, 3,2-hydroxypyridinones, and others was then demonstrated. The introduction of the ligand tethers onto the phenolic scaffold can be done sequentially under relatively mild conditions that tolerate the presence of other sensitive ligand groups. The differential reactivity of the disilyl derivative 20b, allowed stepwise introduction of two different ligands on the internal phenolic positions. This enabled the introduction of three different ligand groups of choice onto the tetraphenol platform. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2012.09.032
• 作为产物：
  描述：

  ethyl 5-(2-(2-(2-(2-(3-(benzyloxy)-2-oxopyridin-1(2H)-yl)ethoxy)ethoxy)-5-tert-butylbenzyl)-6-(3-(2-(2-(2-(3-(benzyloxy)-2-oxopyridin-1(2H)-yl)ethoxy)ethoxy)-5-tert-butylbenzyl)-5-tert-butyl-2-(5-(diethoxyphosphoryl)pentyloxy)benzyl)-4-tert-butylphenoxy)pentanoate 、 苄氧基胺盐酸盐 在 lithium hexamethyldisilazane 作用下， 以 四氢呋喃 为溶剂， 反应 0.75h， 以53%的产率得到diethyl 5-(2-(2-(2-(2-(3-(benzyloxy)-2-oxopyridin-1(2H)-yl)ethoxy)ethoxy)-5-tert-butylbenzyl)-6-(3-(2-(2-(2-(3-(benzyloxy)-2-oxopyridin-1(2H)-yl)ethoxy)ethoxy)-5-tert-butylbenzyl)-2-(5-(benzyloxyamino)-5-oxopentyloxy)-5-tert-butylbenzyl)-4-tert-butylphenoxy)pentylphosphonate
  参考文献：
  名称：

  Synthetic approaches to mixed ligand chelators on tert-butylphenol–formaldehyde oligomer (PFO) platforms

  摘要：

  Synthetic approaches to mixed ligand chelators on readily available tert-butylphenol-formaldehyde oligomer, PFO, scaffolds were examined. In a promising approach, tris and tetraphenol oligomers were selectively mono or di protected using tert-butyldiphenyl silyl chloride. The utility of these protected intermediates to prepare representative mixed PFO chelators, carrying ligands such as hydroxamic acid, 3,2-hydroxypyridinones, and others was then demonstrated. The introduction of the ligand tethers onto the phenolic scaffold can be done sequentially under relatively mild conditions that tolerate the presence of other sensitive ligand groups. The differential reactivity of the disilyl derivative 20b, allowed stepwise introduction of two different ligands on the internal phenolic positions. This enabled the introduction of three different ligand groups of choice onto the tetraphenol platform. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2012.09.032

文献信息

• Synthetic approaches to mixed ligand chelators on tert-butylphenol–formaldehyde oligomer (PFO) platforms
  作者：Jennifer A. Young、Sukhen Karmakar、Hollie K. Jacobs、Aravamudan S. Gopalan

  DOI：10.1016/j.tet.2012.09.032

  日期：2012.12

  Synthetic approaches to mixed ligand chelators on readily available tert-butylphenol-formaldehyde oligomer, PFO, scaffolds were examined. In a promising approach, tris and tetraphenol oligomers were selectively mono or di protected using tert-butyldiphenyl silyl chloride. The utility of these protected intermediates to prepare representative mixed PFO chelators, carrying ligands such as hydroxamic acid, 3,2-hydroxypyridinones, and others was then demonstrated. The introduction of the ligand tethers onto the phenolic scaffold can be done sequentially under relatively mild conditions that tolerate the presence of other sensitive ligand groups. The differential reactivity of the disilyl derivative 20b, allowed stepwise introduction of two different ligands on the internal phenolic positions. This enabled the introduction of three different ligand groups of choice onto the tetraphenol platform. (C) 2012 Elsevier Ltd. All rights reserved.