(4-乙氧基-2,6-二氟苯基)甲醇 | 438050-23-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 中文名称: (4-乙氧基-2,6-二氟苯基)甲醇
• 英文名称: 4-ethoxy-2,6-difluoro-benzylalcohol
• 英文别名: (4-Ethoxy-2,6-difluorophenyl)methanol
• CAS: 438050-23-8
• 化学式: C₉H₁₀F₂O₂
• mdl: MFCD09258696
• 分子量: 188.174
• InChiKey: DVBOKVWHRGLKBD-UHFFFAOYSA-N

物化性质

• 沸点：
  230.8±35.0 °C(Predicted)
• 密度：
  1.236±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.333
• 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：

  (4-乙氧基-2,6-二氟苯基)甲醇 在 四溴化碳 、 三苯基膦 作用下， 以 二氯甲烷 为溶剂， 生成 2-(溴甲基)-5-乙氧基-1,3-二氟苯
  参考文献：
  名称：

  Optimization of benzyloxazoles as non-nucleoside inhibitors of HIV-1 reverse transcriptase to enhance Y181C potency

  摘要：

  Design of non-nucleoside inhibitors of HIV-1 reverse transcriptase with improved activity towards Tyr181Cys containing variants was pursued with the assistance of free energy perturbation (FEP) calculations. Optimization of the 4-R substituent in 1 led to ethyl and isopropyl analogs le and if with 1-7 nM potency towards both the wild-type virus and a Tyr181C variant. (C) 2012 Elsevier.Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.11.115
• 作为产物：
  描述：

  2,6-二氟-4-乙氧基苯甲醛 在 sodium tetrahydroborate 作用下， 以 甲醇 为溶剂， 生成 (4-乙氧基-2,6-二氟苯基)甲醇
  参考文献：
  名称：

  Optimization of benzyloxazoles as non-nucleoside inhibitors of HIV-1 reverse transcriptase to enhance Y181C potency

  摘要：

  Design of non-nucleoside inhibitors of HIV-1 reverse transcriptase with improved activity towards Tyr181Cys containing variants was pursued with the assistance of free energy perturbation (FEP) calculations. Optimization of the 4-R substituent in 1 led to ethyl and isopropyl analogs le and if with 1-7 nM potency towards both the wild-type virus and a Tyr181C variant. (C) 2012 Elsevier.Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.11.115

文献信息

• Novel piperazine derivatives
  申请人：——

  公开号：US20020143020A1

  公开（公告）日：2002-10-03

  The present invention is a chemical compound of formula (I) 1 or a pharmaceutically acceptable salts, solvates and esters thereof, wherein R 1 to R 4 , A 1 , A 2 m and n are as described in the specification.

  本发明是一种具有公式(I)的化学化合物 1 或其药物可接受的盐、溶剂化物和酯，其中R 1 至R 4 ，A 1 ，A 2 ，m和n如说明书中所述。
• Piperazine derivatives
  申请人：Hoffman-La Roche Inc.

  公开号：US07022707B2

  公开（公告）日：2006-04-04

  The present invention is a chemical compound of formula (I) or a pharmaceutically acceptable salts, solvates and esters thereof, wherein R1 to R4, A1, A2 m and n are as described in the specification.

  本发明是化学式(I)的化合物或其药学上可接受的盐、溶剂合物和酯，其中R1至R4、A1、A2、m和n如规范所述。
• PIPERAZINE DERIVATIVES
  申请人：F. Hoffmann-La Roche AG

  公开号：EP1343775B1

  公开（公告）日：2008-06-04
• US7022707B2
  申请人：——

  公开号：US7022707B2

  公开（公告）日：2006-04-04
• [EN] PIPERAZINE DERIVATIVES<br/>[FR] DERIVES DE PIPERAZINE
  申请人：HOFFMANN LA ROCHE

  公开号：WO2002048124A2

  公开（公告）日：2002-06-20

  The present invention refers to chemical compounds of formula (I) as well as pharmaceutically usable salts, solvates and esters thereof, wherein R?1 to 44, A1, A2¿ m and n have the significance given in claim 1. They can be used in the form of pharmaceutically preparations for the treatment or prevention of disorders of the central nervous system, cardiovascular disorders, gastrointestinal disorders, diabetes, obesity and sleep apnoea.