(R)-1-(4-Benzyloxy-3-nitro-phenyl)-2-{benzyl-[2-(4-phenoxy-phenyl)-ethyl]-amino}-ethanol | 757241-05-7

• 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: (R)-1-(4-Benzyloxy-3-nitro-phenyl)-2-{benzyl-[2-(4-phenoxy-phenyl)-ethyl]-amino}-ethanol
• CAS: 757241-05-7
• 化学式: C₃₆H₃₄N₂O₅
• 分子量: 574.676
• InChiKey: PPYMBCANVOYCIX-DHUJRADRSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.74
• 重原子数：
  43.0
• 可旋转键数：
  14.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  85.07
• 氢给体数：
  1.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  (R)-1-(4-Benzyloxy-3-nitro-phenyl)-2-{benzyl-[2-(4-phenoxy-phenyl)-ethyl]-amino}-ethanol 在 platinum(IV) oxide 氢气 作用下， 以 四氢呋喃 、 甲苯 为溶剂， 20.0 ℃ 、101.32 kPa 条件下， 生成 (R)-1-(3-Amino-4-benzyloxy-phenyl)-2-{benzyl-[2-(4-phenoxy-phenyl)-ethyl]-amino}-ethanol
  参考文献：
  名称：

  Long-chain formoterol analogues: an investigation into the effect of increasing amino-substituent chain length on the β2-adrenoceptor activity

  摘要：

  The synthesis of a series of long-chain formoterol analogues in which the terminal ether residue of the beta-phenethyl-amino-substituent has been extended beyond the methyl ether residue present in the parent compound are described. Evaluation of these analogues as beta(2)-adrenoceptor agonists was used to provide an insight into the factors controlling the magnitude and duration of receptor activation. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.06.086
• 作为产物：
  描述：

  N-[2-(4-Phenoxy-phenyl)-ethyl]-benzamide 在 lithium aluminium tetrahydride 作用下， 生成 (R)-1-(4-Benzyloxy-3-nitro-phenyl)-2-{benzyl-[2-(4-phenoxy-phenyl)-ethyl]-amino}-ethanol
  参考文献：
  名称：

  Long-chain formoterol analogues: an investigation into the effect of increasing amino-substituent chain length on the β2-adrenoceptor activity

  摘要：

  The synthesis of a series of long-chain formoterol analogues in which the terminal ether residue of the beta-phenethyl-amino-substituent has been extended beyond the methyl ether residue present in the parent compound are described. Evaluation of these analogues as beta(2)-adrenoceptor agonists was used to provide an insight into the factors controlling the magnitude and duration of receptor activation. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.06.086