2-(2,4-difluoro-phenoxy)-ethanol | 727360-82-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 2-(2,4-difluoro-phenoxy)-ethanol
• 英文别名: 2-(2,4-difluorophenoxy)ethanol
• CAS: 727360-82-9
• 化学式: C₈H₈F₂O₂
• 分子量: 174.147
• InChiKey: IJIIYNDHHMOMEL-UHFFFAOYSA-N

物化性质

• 沸点：
  261.0±25.0 °C(Predicted)
• 密度：
  1.281±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  12
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  29.5
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-(2,4-difluoro-phenoxy)-ethanol 在 乙醇 、 sodium hydride 作用下， 以 四氢呋喃 为溶剂， 反应 19.0h， 生成 1-(4-(2-(tert-butyl)phenyl)piperazin-1-yl)-3-(2-(2,4-difluorophenoxy)ethoxy)propan-2-ol
  参考文献：
  名称：

  Synthesis and evaluation of a novel class Hsp90 inhibitors containing 1-phenylpiperazine scaffold

  摘要：

  Previously, we identified 1-(2-(4-bromophenoxy) ethoxy)-3-(4-(2-methoxyphenyl) piperazin-1-yl) propan- 2-ol (1) as a novel Hsp90 inhibitor with moderate activity through virtual screening. In this study, we report the optimization process of 1. A series of analogues containing the 1-phenylpiperazine core scaffold were synthesized and evaluated. The structure-activity relationships (SAR) for these compounds was also discussed for further molecular design. This effort afforded the most active inhibitor 13f with improved activity in not only target-based level, but also cell-based level compared with the original hit 1. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2014.01.070
• 作为产物：
  描述：

  2,4-二氟苯酚 、 2-氯乙醇 在 sodium hydroxide 作用下， 以 水 为溶剂， 反应 24.0h， 生成 2-(2,4-difluoro-phenoxy)-ethanol
  参考文献：
  名称：

  Synthesis and evaluation of a novel class Hsp90 inhibitors containing 1-phenylpiperazine scaffold

  摘要：

  Previously, we identified 1-(2-(4-bromophenoxy) ethoxy)-3-(4-(2-methoxyphenyl) piperazin-1-yl) propan- 2-ol (1) as a novel Hsp90 inhibitor with moderate activity through virtual screening. In this study, we report the optimization process of 1. A series of analogues containing the 1-phenylpiperazine core scaffold were synthesized and evaluated. The structure-activity relationships (SAR) for these compounds was also discussed for further molecular design. This effort afforded the most active inhibitor 13f with improved activity in not only target-based level, but also cell-based level compared with the original hit 1. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2014.01.070

文献信息

• THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE
  申请人：Suzuki Masaki

  公开号：US20150307477A1

  公开（公告）日：2015-10-29

  Methods of treating disorders using compounds that modulate striatal-enriched tyrosine phosphatase (STEP) are described herein. Exemplary disorders include schizophrenia and cognitive deficit.

  本文描述了利用调节纹状体富集的酪氨酸磷酸酶（STEP）的化合物来治疗疾病的方法。示例疾病包括精神分裂症和认知缺陷。
• Preferentially substituted calcium channel blockers
  申请人：——

  公开号：US20040147529A1

  公开（公告）日：2004-07-29

  Certain piperazine substituted compounds are described which are useful in altering calcium channel activity.

  描述了某些取代哌嗪化合物，这些化合物在改变钙通道活性方面是有用的。
• Design, Synthesis, and Biological Activities of Novel 2-Cyanoacrylate Compounds Containing Substituted Pyrazolyl or 1,2,3-Triazolyl Moiety
  作者：Yang Wang、Yudie Chen、Ye Qian、Jia Chen、Xianchao Du、Yujun Shi、Baolin Xu、Sheng Hua、Hong Dai

  DOI：10.3390/molecules28073141

  日期：——

  To develop novel 2-cyanoacrylate derivatives with potential bioactivity, a number of 2-cyanoacrylate compounds, including substituted pyrazole or 1,2,3-triazole ring, were designed, prepared, and structurally detected by 1H NMR, 13C NMR, and elemental analysis. The biological assessment displayed that some designed compounds had significant herbicidal activities against Brassica juncea, Chenopodium

  为了开发具有潜在生物活性的新型2-氰基丙烯酸酯衍生物，设计、制备了许多2-氰基丙烯酸酯化合物，包括取代吡唑或1,2,3-三唑环，并通过1H NMR、13C NMR和元素分析对其进行了结构检测. 生物学评估表明，一些设计的化合物在 1500 g/ha 的剂量下对芥菜、藜、酸模、大麦草、Polypogon fugax 和早熟禾具有显着的除草活性。此外，当剂量降至150 g/ha时，一些衍生物对芥菜、藜和酸模仍表现出令人满意的除草活性，尤其是化合物9a、9d、9f、9i、10a、10b、10e、化合物9d、9f、9g、9h、9i、10h、9d、9f、9g、9h、9i、10h、10i、10m、10n和10o对藜有70%以上的抑制率，化合物9d对酸模有70%的除草活性。这些结果为进一步设计和发现具有生物活性的2-氰基丙烯酸酯化合物提供了重要依据。
• EP1670775A4
  申请人：——

  公开号：EP1670775A4

  公开（公告）日：2009-04-22
• PIPERAZINE SUBTITUTED COMPOUNDS USED AS CALCIUM CHANNEL BLOCKERS
  申请人：Neuromed Pharmaceuticals, Ltd.

  公开号：EP1670775A1

  公开（公告）日：2006-06-21