2-(4-Ethylphenoxy)propan-1-ol | 605657-95-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 2-(4-Ethylphenoxy)propan-1-ol
• CAS: 605657-95-2
• 化学式: C₁₁H₁₆O₂
• 分子量: 180.247
• InChiKey: QLDHRRGTAYRRHA-UHFFFAOYSA-N

物化性质

• 沸点：
  287.6±15.0 °C(Predicted)
• 密度：
  1.017±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  13
• 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：
  29.5
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  丁酰氯 、 2-(4-Ethylphenoxy)propan-1-ol 在 吡啶 作用下， 以 二氯甲烷 为溶剂， 生成
  参考文献：
  名称：

  Resolution of 2-aryloxy-1-propanols via lipase-catalyzed enantioselective acylation in organic media

  摘要：

  2-Aryloxy-1-propanols, primary alcohols with an oxygyen atom at the stereocenter. were resolved with good to high enantioselectivity by acylation with vinyl butanoate mediated by Pseudomonas sp. lipase in di-iso-propyl ether. Potential factors affecting the enantioselectivity of the enzymatic acylation were examined: solvents. acyl donors mid temperature, Using this enantioselective acylation procedure. enantiomeriocally pure (R)-2-(4-chlorophenoxy)-1-propanol was prepared on a grain scale. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0957-4166(01)00258-0
• 作为产物：
  描述：

  2-(4-乙基苯氧基)丙酸 在 硼烷 作用下， 以 四氢呋喃 为溶剂， 生成 2-(4-Ethylphenoxy)propan-1-ol
  参考文献：
  名称：

  Resolution of 2-aryloxy-1-propanols via lipase-catalyzed enantioselective acylation in organic media

  摘要：

  2-Aryloxy-1-propanols, primary alcohols with an oxygyen atom at the stereocenter. were resolved with good to high enantioselectivity by acylation with vinyl butanoate mediated by Pseudomonas sp. lipase in di-iso-propyl ether. Potential factors affecting the enantioselectivity of the enzymatic acylation were examined: solvents. acyl donors mid temperature, Using this enantioselective acylation procedure. enantiomeriocally pure (R)-2-(4-chlorophenoxy)-1-propanol was prepared on a grain scale. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0957-4166(01)00258-0

文献信息

• P-alkyl or cycloalkyl phenoxy alkanols and alkanol esters and use for the treatment of allergic conditions
  申请人：PHARMACO DEVELOPMENT PARTNERS

  公开号：EP0162975B1

  公开（公告）日：1988-07-27
• Resolution of 2-aryloxy-1-propanols via lipase-catalyzed enantioselective acylation in organic media
  作者：Toshifumi Miyazawa、Tomoyuki Yukawa、Takashi Koshiba、Hiroko Sakamoto、Shinichi Ueji、Ryoji Yanagihara、Takashi Yamada

  DOI：10.1016/s0957-4166(01)00258-0

  日期：2001.7

  2-Aryloxy-1-propanols, primary alcohols with an oxygyen atom at the stereocenter. were resolved with good to high enantioselectivity by acylation with vinyl butanoate mediated by Pseudomonas sp. lipase in di-iso-propyl ether. Potential factors affecting the enantioselectivity of the enzymatic acylation were examined: solvents. acyl donors mid temperature, Using this enantioselective acylation procedure. enantiomeriocally pure (R)-2-(4-chlorophenoxy)-1-propanol was prepared on a grain scale. (C) 2001 Elsevier Science Ltd. All rights reserved.