(R)-3-(4-fluoro-2-methylphenoxy)butyl-4-methylbenzenesulfonate | 914461-65-7

• 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)-3-(4-fluoro-2-methylphenoxy)butyl-4-methylbenzenesulfonate
• 英文别名: [(3R)-3-(4-fluoro-2-methylphenoxy)butyl] 4-methylbenzenesulfonate
• CAS: 914461-65-7
• 化学式: C₁₈H₂₁FO₄S
• 分子量: 352.427
• InChiKey: PNWVXBDVNSZDBX-OAHLLOKOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  24
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  61
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  (R)-3-(4-fluoro-2-methylphenoxy)butyl-4-methylbenzenesulfonate 、 二甲胺 以 水 为溶剂， 反应 84.0h， 以73%的产率得到(R)-3-(4-fluoro-2-methylphenoxy)-N,N-dimethylbutane-1-amine
  参考文献：
  名称：

  Expanding the medicinal chemistry toolbox: stereospecific generation of methyl group-containing propylene linkers

  摘要：

  Use of alkyl substituted propylene linkers as a strategy for fine-tuning the biological activity of medicinal agents requires ready access to these substrates. Herein, a general strategy is described for stereo specifically generating 18 chiral mono- and di-methylpropylene linkers. All twelve vicinal 1,2-propylene targets were generated from methyl-3-hydroxybutanoate and all 1,3-disubstituted targets from pentane-2,4-diol. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2006.08.020
• 作为产物：
  描述：

  4-氟-2-甲基苯酚 、 (S)-3-hydroxybutyl toluene-4-sulphonate 在 三苯基膦 、 偶氮二甲酸二乙酯 作用下， 以 四氢呋喃 为溶剂， 反应 16.0h， 以63%的产率得到(R)-3-(4-fluoro-2-methylphenoxy)butyl-4-methylbenzenesulfonate
  参考文献：
  名称：

  Expanding the medicinal chemistry toolbox: stereospecific generation of methyl group-containing propylene linkers

  摘要：

  Use of alkyl substituted propylene linkers as a strategy for fine-tuning the biological activity of medicinal agents requires ready access to these substrates. Herein, a general strategy is described for stereo specifically generating 18 chiral mono- and di-methylpropylene linkers. All twelve vicinal 1,2-propylene targets were generated from methyl-3-hydroxybutanoate and all 1,3-disubstituted targets from pentane-2,4-diol. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2006.08.020

文献信息

• Expanding the medicinal chemistry toolbox: stereospecific generation of methyl group-containing propylene linkers
  作者：Kristopher Bosse、Jason Marineau、Deane M. Nason、Anton J. Fliri、Barb E. Segelstein、Kishor Desai、Robert A. Volkmann

  DOI：10.1016/j.tetlet.2006.08.020

  日期：2006.10

  Use of alkyl substituted propylene linkers as a strategy for fine-tuning the biological activity of medicinal agents requires ready access to these substrates. Herein, a general strategy is described for stereo specifically generating 18 chiral mono- and di-methylpropylene linkers. All twelve vicinal 1,2-propylene targets were generated from methyl-3-hydroxybutanoate and all 1,3-disubstituted targets from pentane-2,4-diol. (c) 2006 Elsevier Ltd. All rights reserved.