(R)-1-(3-fluoro-4-methylphenyl)ethanol | 1344955-38-9

• 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-(3-fluoro-4-methylphenyl)ethanol
• 英文别名: (R)-1-(3-Fluoro-4-methylphenyl)ethan-1-ol；(1R)-1-(3-fluoro-4-methylphenyl)ethanol
• CAS: 1344955-38-9
• 化学式: C₉H₁₁FO
• 分子量: 154.184
• InChiKey: FHLXVZWMYWRBTO-SSDOTTSWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  20.2
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  3'-氟-4'-甲基苯乙酮 在 (+)-二异松蒎基氯硼烷 作用下， 以 四氢呋喃 为溶剂， 以83%的产率得到(R)-1-(3-fluoro-4-methylphenyl)ethanol
  参考文献：
  名称：

  [EN] PYRAZOLE DERIVATIVES AS BROMODOMAIN INHIBITORS
  [FR] DÉRIVÉS DE PYRAZOLE UTILISÉS EN TANT QU'INHIBITEURS DE BROMODOMAINE

  摘要：

  本发明涉及吡唑衍生物，包括该化合物的药物组合物以及在治疗各种疾病中使用该化合物或组合物。

  公开号：

  WO2018158212A1

文献信息

• [EN] PYRAZOLE DERIVATIVES AS BROMODOMAIN INHIBITORS<br/>[FR] DÉRIVÉS DE PYRAZOLE UTILISÉS EN TANT QU'INHIBITEURS DE BROMODOMAINE
  申请人：GLAXOSMITHKLINE IP NO 2 LTD

  公开号：WO2018158212A1

  公开（公告）日：2018-09-07

  The present invention is directed to pyrazole derivatives, pharmaceutical compositions comprising the compounds and the use of the compounds or the compositions in the treatment of various diseases

  本发明涉及吡唑衍生物，包括该化合物的药物组合物以及在治疗各种疾病中使用该化合物或组合物。
• Pyrazole derivatives as bromodomain inhibitors
  申请人：GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED

  公开号：US10966961B2

  公开（公告）日：2021-04-06

  The present invention is directed to pyrazole derivatives, pharmaceutical compositions comprising the compounds and the use of the compounds or the compositions in the treatment of various diseases.

  本发明涉及吡唑衍生物、包含这些化合物的药物组合物以及这些化合物或组合物在治疗各种疾病中的用途。
• PYRAZOLE DERIVATIVES AS BROMODOMAIN INHIBITORS
  申请人：GlaxoSmithKline Intellectual Property (No. 2) Limited

  公开号：EP3589618B1

  公开（公告）日：2022-12-28
• Preparative access to medicinal chemistry related chiral alcohols using carbonyl reductase technology
  作者：Andrew S. Rowan、Thomas S. Moody、Roger M. Howard、Toby J. Underwood、Iain R. Miskelly、Yanan He、Bo Wang

  DOI：10.1016/j.tetasy.2013.09.015

  日期：2013.11

  Libraries of highly enantioenriched secondary alcohols in both enantiomeric forms were synthesised by enzymatic reduction of their parent ketones using selectAZyme (TM) carbonyl reductase (CRED) technology. Commercially available CREDs were able to reduce a range of substrate classes efficiently and with very high enantioselectivity. Matching substrate classes to small subsets of CREDs enabled the fast development of preparative bioreductions and the rapid generation of 100-1500 mg samples of chiral alcohols in typically >95% ee and the majority in >= 99.0% ee. The conditions for small scale synthesis were then scaled up to 0.5 kg to deliver one of the chiral alcohols, (S)-1-(4-bromophenyl)-2-chloroethanol, in 99.8% ee and 91% isolated yield. (C) 2013 Elsevier Ltd. All rights reserved.