N-Boc-N-[2-(2-bromo-5-methoxy-phenyl)ethyl]amine | 870553-45-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: N-Boc-N-[2-(2-bromo-5-methoxy-phenyl)ethyl]amine
• 英文别名: tert-butyl N-[2-(2-bromo-5-methoxyphenyl)ethyl]carbamate
• CAS: 870553-45-0
• 化学式: C₁₄H₂₀BrNO₃
• 分子量: 330.222
• InChiKey: NMAWIVQAEZWFFI-UHFFFAOYSA-N

物化性质

• 熔点：
  88-90 °C
• 沸点：
  422.5±35.0 °C(Predicted)
• 密度：
  1.283±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  19
• 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：
  47.6
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  N-Boc-N-[2-(2-bromo-5-methoxy-phenyl)ethyl]amine 在 三氟乙酸 、 sodium hydroxide 作用下， 以 二氯甲烷 、 水 为溶剂， 以1.1 g的产率得到2-(2-溴-5-甲氧基苯基)乙胺
  参考文献：
  名称：

  QSAR guided synthesis of simplified antiplasmodial analogs of naphthylisoquinoline alkaloids

  摘要：

  Naphthylisoquinoline alkaloids have attracted considerable interest because of their intriguing structure, their unique biosynthetic origin, and their biological activities against several pathogens causing tropical diseases. Their promising pharmacologic properties make them suitable lead structures for new agents, in particular against malaria. Since these natural products are not easy to isolate in sufficient quantities or to synthesize stereoselectively, quantitative structure activity relationship studies were accomplished to find new antiplasmodial analogs that are structurally related to the naturally occurring naphthylisoquinoline alkaloids, but more easily accessible, more active against Plasmodium falciparum, and, last but not least, less toxic. We report on the synthesis of several simplified compounds by a Suzuki coupling between the naphthalene and the isoquinoline moieties and on their activities against different pathogens causing infectious diseases. Some structures were found to exhibit excellent and selective activities against P. falciparum in vitro. (C) 2010 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2010.08.062
• 作为产物：
  描述：

  tert-butyl (3-methoxyphenylethyl)carbamate 在 N-溴代丁二酰亚胺(NBS) 作用下， 以 乙腈 为溶剂， 以94 %的产率得到N-Boc-N-[2-(2-bromo-5-methoxy-phenyl)ethyl]amine
  参考文献：
  名称：

  2-氨基嘧啶衍生物作为激酶抑制剂及其制备和应用

  摘要：

  本发明涉及具有式（I）的2‑氨基嘧啶衍生物、含有式（I）化合物的药物组合物及所述化合物在制备预防或治疗激酶相关疾病药物的用途，特别是用于预防或治疗与蛋白质酪氨酸激酶相关癌症的用途。其中式（I）中的各取代基与说明书中的定义相同。

  公开号：

  CN116332910A

文献信息

• Synthesis of Chiral 1-Substituted Tetrahydroisoquinolines by the Intramolecular 1,3-Chirality Transfer Reaction Catalyzed by Bi(OTf)₃
  作者：Nobuyuki Kawai、Ryuzou Abe、Mika Matsuda、Jun’ichi Uenishi

  DOI：10.1021/jo102452d

  日期：2011.4.1

  The intramolecular 1,3-chirality transfer reaction of chiral amino alcohols 1 with 99% ee was developed to construct chiral 1-substituted tetrahydroisoquinoline 2. Bi(OTf)3 (10 mol %)-catalyzed cyclization of 1 (R = H) afforded (S)-1-(E)-propenyl tetrahydroisoquinoline 2 (R = H) in 83% yield with a ratio of 98:2. The stereochemistry at the newly formed chiral center was produced by a syn SN2′-type

  开展了手性氨基醇1与99％ee的分子内1,3-手性转移反应，构建了手性1取代的四氢异喹啉2。Bi（OTf）3（10 mol％）催化1的环化反应（R = H）得到（S）-1-（E）-丙烯基四氢异喹啉2（R = H），产率为83：2，比率为98：2 。在新形成的手性中心的立体化学是通过syn S N 2'型过程产生的。在该反应中，苯环1上的取代基显着影响反应性和选择性。提出了合理的反应机理。
• Urea antagonists of P2Y1 receptor useful in the treatment of thrombotic conditions
  申请人：Chao J. Hannguang

  公开号：US20050267119A1

  公开（公告）日：2005-12-01

  The present invention provides novel pyridyl or phenyl ureas and analogues thereof, which are selective inhibitors of the human P2Y 1 receptor. The invention also provides for various pharmaceutical compositions of the same and methods for treating diseases responsive to modulation of P2Y 1 receptor activity.

  本发明提供了新型吡啶基或苯基脲及其类似物，它们是人类P2Y1受体的选择性抑制剂。本发明还提供了各种相应的制药组合物和调节P2Y1受体活性的治疗疾病的方法。
• UREA ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS
  申请人：Chao Hannguang J.

  公开号：US20080280905A1

  公开（公告）日：2008-11-13

  The present invention provides novel pyridyl or phenyl ureas and analogues thereof, which are selective inhibitors of the human P2Y 1 receptor. The invention also provides for various pharmaceutical compositions of the same and methods for treating diseases responsive to modulation of P2Y 1 receptor activity.

  本发明提供了新型吡啶基或苯基脲及其类似物，它们是选择性的人类P2Y1受体抑制剂。本发明还提供了各种该类药物组成物和调节P2Y1受体活性以治疗对其反应的疾病的方法。
• US7388021B2
  申请人：——

  公开号：US7388021B2

  公开（公告）日：2008-06-17
• US7674828B2
  申请人：——

  公开号：US7674828B2

  公开（公告）日：2010-03-09