N-[4-(1-氨基乙基)苯基]乙酰胺 | 757151-43-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: N-[4-(1-氨基乙基)苯基]乙酰胺
• 英文名称: N-(4-(1-aminoethyl)phenyl)acetamide
• 英文别名: N-[4-(1-Amino-ethyl)-phenyl]-acetamide；N-[4-(1-aminoethyl)phenyl]acetamide
• CAS: 757151-43-2
• 化学式: C₁₀H₁₄N₂O
• 分子量: 178.234
• InChiKey: ZORYGMLNMVLIDS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  55.1
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  N-[4-(1-氨基乙基)苯基]乙酰胺 在 盐酸 作用下， 以 乙醚 为溶剂， 反应 0.5h， 生成 1-(4-acetamidophenyl)ethanaminium hydrochloride
  参考文献：
  名称：

  Selective Conversion of Benzylic C-H Bonds to an Amine Function by Oxidative Nucleophilic Substitution

  摘要：

  在氯仿中，在 2,3-二氯-5,6-二氰基-1,4-苯醌（DDQ）的存在下，通过与三甲基硅叠氮化物或苯甲酸反应，烷基烯烃 1 的苄基质子被叠氮基团一步取代。 1- 芳基烷基叠氮化物 2 被还原成胺 3，其特征为它们的盐酸盐 4。

  DOI：

  10.1055/s-1988-27747
• 作为产物：
  描述：

  [1-(4-amino-phenyl)-ethyl]carbamic acid tert-butyl ester 在 吡啶 、 4-二甲氨基吡啶 、 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 反应 6.0h， 生成 N-[4-(1-氨基乙基)苯基]乙酰胺
  参考文献：
  名称：

  4-Aminopyrimidines as novel HIV-1 inhibitors

  摘要：

  A series of 4-aminopyrimidines (1) was identified as novel HIV inhibitors of unknown molecular target. Structural modifications were carried out to establish its SAR and identify the linking site for target identification. A number of analogs were found to possess single digit inhibitory activity for HIV replication. Several analogs with various potential linkers, including a biotinated analog, also exhibited excellent potency, and could serve as tools for the identification of novel anti-HTV targets. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.09.047

文献信息

• Air Stable Iridium Catalysts for Direct Reductive Amination of Ketones
  作者：Iuliia Polishchuk、Jan Sklyaruk、Yury Lebedev、Magnus Rueping

  DOI：10.1002/chem.202005508

  日期：2021.4

  were found to catalyze the direct reductive amination of aromatic and aliphatic ketones under mild conditions at 0.5 mol % loading with high selectivity towards primary amines. One of the complexes was found to be active in both the Leuckart–Wallach (NH4CO2H) type reaction as well as in the hydrogenative (H2/NH4AcO) reductive amination. The protocol with ammonium formate does not require an inert atmosphere

  发现带有双齿尿素-磷配体的半三明治铱络合物在温和的条件下以0.5 mol％的负载量对伯胺具有高选择性，可催化芳香族和脂肪族酮的直接还原胺化。发现该配合物之一在Leuckart-Wallach（NH 4 CO 2 H）型反应以及氢化（H 2 / NH 4 AcO）还原胺化反应中均具有活性。使用甲酸铵的方案不需要惰性气氛，干燥溶剂以及添加剂，并且与以前的报道相反，是在六氟异丙醇（HFIP）而不是甲醇中进行的。施加NH 4 CO 2 D或D 2 导致氘高度掺入伯胺α-位置。
• METHOD FOR PREPARING ENAMIDE COMPOUND AND RUTHENIUM COMPLEX CATALYST USED THEREIN
  申请人：POSTECH ACADEMY-INDUSTRY FOUNDATION

  公开号：US20170291885A1

  公开（公告）日：2017-10-12

  Provided is a method for preparing an enamide compound, which includes reacting an organic azide compound having α-hydrogen and an anhydride by addition of a ruthenium complex catalyst in the presence of an ionic liquid, and a ruthenium complex catalyst used herein.

  提供了一种制备烯酰胺化合物的方法，包括在存在离子液体的情况下，通过向具有α-氢的有机叠氮化合物和酸酐添加钌配合物催化剂来反应，并且这里使用的是一种钌配合物催化剂。
• Compositions and Methods for Treating Ophthalmic Diseases
  申请人：Sullivan A. Kathleen

  公开号：US20080096859A1

  公开（公告）日：2008-04-24

  This invention relates to CXCR4 inhibitors and their use in treating and/or preventing a variety of angiogenic, microvascular and ocular disorders including primary indications for diabetic retinopathy, macular degeneration (such as wet or neovascular age-related macular degeneration (AMD) and dry or atrophic AMD), macular edema, and secondary indications for inhibiting tumor vascularization, and corneal and iris neovascularization.

  本发明涉及CXCR4抑制剂及其在治疗和/或预防多种血管生成、微血管和眼部疾病中的应用，包括糖尿病视网膜病变、黄斑变性（如湿性或新生血管性年龄相关性黄斑变性（AMD）和干性或萎缩性AMD）、黄斑水肿，以及抑制肿瘤血管生成和角膜和虹膜新生血管生成的辅助治疗。
• Structure-based design of amidinophenylurea-derivatives for factor VIIa inhibition
  作者：Otmar Klingler、Hans Matter、Manfred Schudok、Monica Donghi、Joerg Czech、Martin Lorenz、Hans Peter Nestler、Hauke Szillat、Herman Schreuder

  DOI：10.1016/j.bmcl.2004.05.006

  日期：2004.7

  The amidinophenylurea scaffold was earlier shown to provide an excellent template for the synthesis of novel and potent inhibitors of the blood coagulation factor VIIa. In this contribution we describe the structure-based design of potent ligands guided by X-ray crystallography, molecular modeling and docking studies. The design and synthetic efforts were directed towards novel modifications to explore the protease binding region close to the S4 subsite. (C) 2004 Elsevier Ltd. All rights reserved.
• US5998440A
  申请人：——

  公开号：US5998440A

  公开（公告）日：1999-12-07