N-propyl-4-methoxyphenethylamine hydrochloride | 101566-01-2

• 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: N-propyl-4-methoxyphenethylamine hydrochloride
• 英文别名: 4-methoxy-N-n-propylphenethylamine hydrochloride；N-[2-(4-methoxyphenyl)ethyl]propan-1-amine;hydrochloride
• CAS: 101566-01-2
• 化学式: C₁₂H₁₉NO*ClH
• 分子量: 229.75
• InChiKey: WQODQCRYIZYKEX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.66
• 重原子数：
  15
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  21.3
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  N-<2-(4-methoxyphenyl)ethyl>propanamide 在 盐酸 、 硼烷 作用下， 以 四氢呋喃 、 1,4-二氧六环 、 二氯甲烷 为溶剂， 反应 44.0h， 生成 N-propyl-4-methoxyphenethylamine hydrochloride
  参考文献：
  名称：

  An efficient sequence for the preparation of small secondary amine hydrochloride salts for focused library generation without need for distillation or chromatographic purification

  摘要：

  Collections of small secondary amines for compound library generation can be efficiently prepared by amide reduction using BH(3)-THF or Red-Al followed by brief methanolysis, trapping with di-tert-butyl dicarbonate, and deprotection with 4M HCl in dioxane. The sequence requires no chromatography or distillation and provides multi-gram quantities of pure HCl salts in a short time.

  DOI：

  10.1016/j.bmcl.2004.04.014

文献信息

• Benzylpyrrolidine derivatives as dopamine agonists
  申请人：SYNTEX (U.S.A.) INC.

  公开号：EP0426075A1

  公开（公告）日：1991-05-08

  Dopamine agonist compounds disclosed are useful in treating hypertension and congestive heart failure in mammals. The compounds have the following general formula (I) wherein: R is hydrogen or lower alkyl; each R1 is independently hydrogen, or halo; R2 is lower alkyl or optionally substituted phenyl; m is an integer of 0, 1, 2, 3, 4, 5, or 6; and n is an integer of from 1 to 10; or a pharmaceutically acceptable salt, (R) or (S) stereoisomers, or racemic or non-racemic mixtures thereof.

  所公开的多巴胺激动剂化合物可用于治疗哺乳动物的高血压和充血性心力衰竭。这些化合物具有以下通式 (I) 其中 R 是氢或低级烷基； 每个 R1 独立地为氢 或卤代 R2 是低级烷基或任选取代的苯基；m 是 0、1、2、3、4、5 或 6 的整数；n 是 1 至 10 的整数；或药学上可接受的盐、（R）或（S）立体异构体，或其外消旋或非外消旋混合物。
• US5093355A
  申请人：——

  公开号：US5093355A

  公开（公告）日：1992-03-03
• An efficient sequence for the preparation of small secondary amine hydrochloride salts for focused library generation without need for distillation or chromatographic purification
  作者：Gene M. Dubowchik、Jodi A. Michne、Dmitry Zuev

  DOI：10.1016/j.bmcl.2004.04.014

  日期：2004.6

  Collections of small secondary amines for compound library generation can be efficiently prepared by amide reduction using BH(3)-THF or Red-Al followed by brief methanolysis, trapping with di-tert-butyl dicarbonate, and deprotection with 4M HCl in dioxane. The sequence requires no chromatography or distillation and provides multi-gram quantities of pure HCl salts in a short time.