3-(3-chloro-2-methylphenyl)-1-(phenoxy)aminopropan-2-ol | 918649-18-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 3-(3-chloro-2-methylphenyl)-1-(phenoxy)aminopropan-2-ol
• 英文别名: 1-phenoxy-3-(3-chloro-2-methylphenylamino)-propan-2-ol；1-(3-Chloro-2-methylanilino)-3-phenoxypropan-2-ol
• CAS: 918649-18-0
• 化学式: C₁₆H₁₈ClNO₂
• 分子量: 291.777
• InChiKey: IJTJLEXTIMNUHU-UHFFFAOYSA-N

物化性质

• 沸点：
  490.7±45.0 °C(Predicted)
• 密度：
  1.234±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  20
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  41.5
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  苯基缩水甘油醚 、 3-氯-2-甲基苯胺 在 cadmium(II) chloride 作用下， 以 二氯甲烷 为溶剂， 反应 3.5h， 以85%的产率得到3-(3-chloro-2-methylphenyl)-1-(phenoxy)aminopropan-2-ol
  参考文献：
  名称：

  Cadmium chloride-catalyzed regioselective opening of oxiranes with aromatic amines — An improved protocol for the synthesis of 2-amino alcohols

  摘要：

  环氧化物在温和的反应条件下（室温）与芳香胺发生快速的 CdCl2 催化开环反应，以高区域选择性得到相应的 2-氨基醇。

  DOI：

  10.1139/v06-186

文献信息

• Efficient Synthesis of β‐Amino Alcohols Catalyzed by Niobium Pentachloride: Regioselective Ring Opening of Epoxides with Aromatic Amines
  作者：A. Venkat Narsaiah、D. Sreenu、K. Nagaiah

  DOI：10.1080/00397910600908884

  日期：2006.10.1

  Abstract Epoxides undergo a rapid ring‐opening reaction with aromatic amines catalyzed by niobium pentachloride under mild reaction conditions. All the reactions were carried out at room temperature to afford the corresponding β‐amino alcohols in excellent yields and with high regioselectivity. IICT Communication No. 050916

  摘要 在温和的反应条件下，五氯化铌催化环氧化物与芳香胺发生快速开环反应。所有反应均在室温下进行，以优异的产率和高区域选择性得到相应的 β-氨基醇。IICT通讯第050916号
• TARGETED DRUG RESCUE WITH NOVEL COMPOSITIONS, COMBINATIONS, AND METHODS THEREOF
  申请人：Exciva GmbH

  公开号：EP3618819A1

  公开（公告）日：2020-03-11
• [EN] TARGETED DRUG RESCUE WITH NOVEL COMPOSITIONS, COMBINATIONS, AND METHODS THEREOF<br/>[FR] TARGETED DRUG RESCUE AVEC DE NOUVELLES COMPOSITIONS, ASSOCIATIONS ET PROCÉDÉS CORRESPONDANTS
  申请人：EXCIVA UG HAFTUNGSBESCHRAENKT

  公开号：WO2018204713A1

  公开（公告）日：2018-11-08

  Compounds of Formula I, pharmaceutically acceptable salts thereof, enantiomers thereof, metabolites thereof, derivatives thereof, prodrugs thereof, acid addition salts thereof, pharmaceutically acceptable salts thereof, or N-oxides thereof; or a combination thereof, processes and intermediates for preparation thereof, compositions thereof, and uses thereof, are provided. Pharmaceutical compositions comprising a compound of Formula I, or enantiomers thereof, metabolites thereof, derivatives thereof, prodrugs thereof, acid addition salts thereof, pharmaceutically acceptable salts thereof, or N-oxides thereof; or a combination thereof, wherein the compound is double and/or triple agent or ligand for CYP2D6, 5-HT2A, and/or 5HT2C receptors, and/or acetylcholinesterase are provided.
• Cadmium chloride-catalyzed regioselective opening of oxiranes with aromatic amines — An improved protocol for the synthesis of 2-amino alcohols
  作者：S Ramesh Kumar、P Leelavathi

  DOI：10.1139/v06-186

  日期：2007.1.1

  Epoxides undergo rapid CdCl₂-catalyzed ring-opening reaction with aromatic amines in mild reaction conditions (room temperature), affording the corresponding 2-amino alcohols with high regioselectivity.Key words: epoxides, aromatic amines, cadmium chloride, 2-amino alcohols.

  环氧化物在温和的反应条件下（室温）与芳香胺发生快速的 CdCl2 催化开环反应，以高区域选择性得到相应的 2-氨基醇。