ethyl 5-[4-(benzyloxy)phenoxy]pentanoate | 870287-35-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: ethyl 5-[4-(benzyloxy)phenoxy]pentanoate
• 英文别名: 5-(4-benzyloxy-phenoxy)-pentanoic ethyl ester；5-(4-Benzyloxy-phenoxy)-pentanoic acid ethyl ester；ethyl 5-(4-phenylmethoxyphenoxy)pentanoate
• CAS: 870287-35-7
• 化学式: C₂₀H₂₄O₄
• 分子量: 328.408
• InChiKey: ZGWWZAXQDLPBEA-UHFFFAOYSA-N

物化性质

• 沸点：
  456.3±30.0 °C(Predicted)
• 密度：
  1.092±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  24
• 可旋转键数：
  11
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  44.8
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  ethyl 5-[4-(benzyloxy)phenoxy]pentanoate 在 5%-palladium/activated carbon 吡啶 、 氢氧化钾 、 lithium aluminium tetrahydride 、 氢气 、 potassium carbonate 作用下， 以 乙醚 、 乙醇 、 水 、 环己酮 为溶剂， 反应 28.0h， 生成 4-[5-(4-Hydroxy-phenoxy)-pentyloxy]-benzoic acid
  参考文献：
  名称：

  Keller, Patrick, Molecular Crystals and Liquid Crystals (1969-1991), 1985, vol. 123, p. 247 - 256

  摘要：

  DOI：
• 作为产物：
  描述：

  5-溴戊酸乙酯 、 4-苄氧基苯酚 在 potassium carbonate 作用下， 以 环己酮 为溶剂， 反应 4.0h， 生成 ethyl 5-[4-(benzyloxy)phenoxy]pentanoate
  参考文献：
  名称：

  Keller, Patrick, Molecular Crystals and Liquid Crystals (1969-1991), 1985, vol. 123, p. 247 - 256

  摘要：

  DOI：

文献信息

• Compounds and Compositions for Delivering Active Agents
  申请人：Gomez-Orellana Maria Isabel

  公开号：US20080255250A1

  公开（公告）日：2008-10-16

  Compounds and compositions for the delivery of active agents are provided. Methods of administration and preparation are provided as well.

  提供用于传递活性成分的化合物和组合物。同时提供了管理和制备的方法。
• Compounds and compositions for delivering active agents
  申请人：Emisphere Technologies, Inc.

  公开号：US08273794B2

  公开（公告）日：2012-09-25

  Compounds and compositions for the delivery of active agents are provided. Methods of administration and preparation are provided as well.

  提供用于传递活性剂的化合物和组合物。同时提供了给药和制备方法。
• [EN] COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS<br/>[FR] COMPOSES ET COMPOSITIONS POUR ADMINISTRATION D'AGENTS ACTIFS
  申请人：EMISPHERE TECH INC

  公开号：WO2005112633A3

  公开（公告）日：2006-10-26
• Discovery of a new chemical lead for a matrix metalloproteinase inhibitor
  作者：Masahiro Ikura、Shingo Nakatani、Shingo Yamamoto、Hiromu Habashita、Tsuneyuki Sugiura、Kanji Takahashi、Koji Ogawa、Hiroyuki Ohno、Hisao Nakai、Masaaki Toda

  DOI：10.1016/j.bmc.2006.01.059

  日期：2006.6

  A series of N-benzoyl gamma-aminobutyric hydroxamic acids were synthesized and evaluated as matrix metalloproteinase inhibitors. First, we focused on chemical modification of the N-benzoyl residue. Introduction of electron-rich para-substituents was effective to increase the inhibitory activity. Especially, some of the analogs with relatively more planar N-acyl residues, such as 10 and 11, demonstrated more potent activity. Second, chemical modification of the gamma-aminobutyric hydroxamic acid moiety was carried out to optimize the three-dimensional arrangement of the two pharmacophores (hydroxamic acid and N-acyl residues). Among the tested, the gamma-aminobutyric hydroxamic acid moiety was found to be the best spacer for connecting the above-mentioned two pharmacophores. Synthesis and structure-activity relationships are discussed. (c) 2006 Elsevier Ltd. All rights reserved.
• COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS
  申请人：Emisphere Technologies, Inc.

  公开号：EP1756039A2

  公开（公告）日：2007-02-28