1-((R)-3-bromo-2-methylpropoxy)-4-fluoro-2-methylbenzene

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 1-((R)-3-bromo-2-methylpropoxy)-4-fluoro-2-methylbenzene
• 英文别名: 1-[(2R)-3-bromo-2-methylpropoxy]-4-fluoro-2-methylbenzene
• 化学式: C₁₁H₁₄BrFO
• 分子量: 261.134
• InChiKey: OVIBVIWHVHXTCE-QMMMGPOBSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  14
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  9.2
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-((R)-3-bromo-2-methylpropoxy)-4-fluoro-2-methylbenzene 、 二甲胺 以 水 、 异丙醇 为溶剂， 反应 16.0h， 以80%的产率得到(S)-3-(4-fluoro-2-methylphenoxy)-N,N,2-trimethylpropan-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 、 (R)-(-)-3-溴-2-甲基-1-丙醇 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 18.0h， 以79%的产率得到1-((R)-3-bromo-2-methylpropoxy)-4-fluoro-2-methylbenzene
  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.