2-amino-1-(3,4-dichlorophenyl)ethanol | 91578-95-9

• 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: 2-amino-1-(3,4-dichlorophenyl)ethanol
• 英文别名: 3,4-Dichloro-I+/--[[(phenylmethyl)amino]methyl]benzenemethanol；2-(benzylamino)-1-(3,4-dichlorophenyl)ethanol
• CAS: 91578-95-9
• 化学式: C₁₅H₁₅Cl₂NO
• 分子量: 296.196
• InChiKey: YWXQQZANPBBUNI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  19
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  32.3
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  [2-(3,4-二氯苯基)-2-羟基乙基]氯化铵 、 三乙酰氧基硼氢化钠 、 苯甲醛 在 N,N-二异丙基乙胺 作用下， 以 1,2-二氯乙烷 为溶剂， 反应 2.0h， 生成 2-amino-1-(3,4-dichlorophenyl)ethanol
  参考文献：
  名称：

  Case Study of Small Molecules As Antimalarials: 2-Amino-1-phenylethanol (APE) Derivatives

  摘要：

  Antiparasitic oral drugs have been associated to lipophilic molecules due to their intrinsic permeability. However, these kind of molecules are associated to numerous adverse effects, which have been extensively studied. Within the Tres Cantos Antimalarial Set (TCAMS) we have identified two small, soluble and simple hits that even presenting antiplasmodial activities in the range of 0.4-0.5 mu M are able to show in vivo activity.

  DOI：

  10.1021/ml500015r

文献信息

• Process for preparing 2-hydroxy-2-phenylethylamines
  申请人：ELI LILLY AND COMPANY

  公开号：EP0104888B1

  公开（公告）日：1986-10-15
• Case Study of Small Molecules As Antimalarials: 2-Amino-1-phenylethanol (APE) Derivatives
  作者：María J. Chaparro、Jaume Vidal、Íñigo Angulo-Barturen、José M. Bueno、Jeremy Burrows、Nicholas Cammack、Pablo Castañeda、Gonzalo Colmenarejo、José M. Coterón、Laura de las Heras、Esther Fernández、Santiago Ferrer、Raquel Gabarró、Francisco J. Gamo、Mercedes García、María B. Jiménez-Díaz、María J. Lafuente、María L. León、María S. Martínez、Douglas Minick、Sara Prats、Margarita Puente、Lourdes Rueda、Elena Sandoval、Ángel Santos-Villarejo、Michael Witty、Félix Calderón

  DOI：10.1021/ml500015r

  日期：2014.6.12

  Antiparasitic oral drugs have been associated to lipophilic molecules due to their intrinsic permeability. However, these kind of molecules are associated to numerous adverse effects, which have been extensively studied. Within the Tres Cantos Antimalarial Set (TCAMS) we have identified two small, soluble and simple hits that even presenting antiplasmodial activities in the range of 0.4-0.5 mu M are able to show in vivo activity.