1-[2-[(2R)-2-hydroxy-3-methoxypropoxy]-5-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]ethanone | 162118-79-8

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-[2-[(2R)-2-hydroxy-3-methoxypropoxy]-5-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]ethanone
• CAS: 162118-79-8
• 化学式: C₂₀H₂₁F₃O₅
• 分子量: 398.379
• InChiKey: XEMABSKOHROFJL-MRXNPFEDSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  28
• 可旋转键数：
  9
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  65
• 氢给体数：
  1
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  氯甲酸甲酯 、 1-[2-[(2R)-2-hydroxy-3-methoxypropoxy]-5-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]ethanone 在 吡啶 作用下， 以 二氯甲烷 为溶剂， 生成 [(2R)-1-[2-acetyl-4-[[3-(trifluoromethyl)phenyl]methoxy]phenoxy]-3-methoxypropan-2-yl] methyl carbonate
  参考文献：
  名称：

  Alkylbenzyl ethers of hydroquinones as monoamine oxidase B inhibitors

  摘要：

  A series of alkylbenzylethers of substituted hydroquinone analogs of 4-(3-chlorophenyl methyloxy)-phenoxybutyronitrile I, and alcohol II were synthesized as monoamine oxidase (MAO) inhibitors. Incorporation of electron-withdrawing groups on the hydroquinone afforded compounds with higher levels of activity and selectivity than I or II for MAO B inhibition.

  DOI：

  10.1016/0960-894x(95)00561-7
• 作为产物：
  描述：

  3-(三氟甲基)溴苄 在 sodium hydride 、 potassium carbonate 作用下， 以 甲醇 、 N,N-二甲基甲酰胺 、 乙腈 为溶剂， 反应 48.0h， 生成 1-[2-[(2R)-2-hydroxy-3-methoxypropoxy]-5-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]ethanone
  参考文献：
  名称：

  Alkylbenzyl ethers of hydroquinones as monoamine oxidase B inhibitors

  摘要：

  A series of alkylbenzylethers of substituted hydroquinone analogs of 4-(3-chlorophenyl methyloxy)-phenoxybutyronitrile I, and alcohol II were synthesized as monoamine oxidase (MAO) inhibitors. Incorporation of electron-withdrawing groups on the hydroquinone afforded compounds with higher levels of activity and selectivity than I or II for MAO B inhibition.

  DOI：

  10.1016/0960-894x(95)00561-7

文献信息

• Alkylbenzyl ethers of hydroquinones as monoamine oxidase B inhibitors
  作者：Argyrios G. Arvanitis、Everett L. Scholfield、Dimitri Grigoriadis、Peter G. Heytler、Jack Bowdle、Robert J. Chorvat

  DOI：10.1016/0960-894x(95)00561-7

  日期：1996.1

  A series of alkylbenzylethers of substituted hydroquinone analogs of 4-(3-chlorophenyl methyloxy)-phenoxybutyronitrile I, and alcohol II were synthesized as monoamine oxidase (MAO) inhibitors. Incorporation of electron-withdrawing groups on the hydroquinone afforded compounds with higher levels of activity and selectivity than I or II for MAO B inhibition.