4-氨基-7-甲基喹啉 | 860193-92-6

• 物质功能分类: 医药中间体 - 杂环化合物 - 喹啉类化合物
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 中文名称: 4-氨基-7-甲基喹啉
• 英文名称: 7-methyl-[4]quinolylamine
• 英文别名: 7-Methyl-[4]chinolylamin；4-Amino-7-methylquinoline；7-methylquinolin-4-amine
• CAS: 860193-92-6
• 化学式: C₁₀H₁₀N₂
• mdl: MFCD08337828
• 分子量: 158.203
• InChiKey: SZUXCWXZQUMIPM-UHFFFAOYSA-N

物化性质

• 熔点：
  163.2-164.6 °C
• 沸点：
  345.0±27.0 °C(Predicted)
• 密度：
  1.169±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  12
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  38.9
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  7-甲基-4-喹诺酮 在 ammonium hydroxide 、 zinc(II) chloride 、 三氯氧磷 作用下， 140.0~180.0 ℃ 、2.05 MPa 条件下， 反应 2.5h， 生成 4-氨基-7-甲基喹啉
  参考文献：
  名称：

  Structure–activity relationships for ferriprotoporphyrin IX association and β-hematin inhibition by 4-aminoquinolines using experimental and ab initio methods

  摘要：

  In order to probe structure-activity relationships of association with ferriprotoporphyrin IX (logK) and inhibition of beta-hematin formation, a series of 4-aminoquinolines with varying substituents at the 7-position (X) have been synthesized. These have been further elaborated by introduction of two different R groups on the 4-amino nitrogen atom in the form of methyl (R = Me) and ethylamine (R = EtNH2) side chains. Data for a previously investigated series containing an N,N-diethyl-ethylamine side chain were also compared with the findings of this study. Experimentally, logK values for the simple 4-aminoquinoline series (R = H) were found to correlate with the hydrophobicity constant (pi) of the group X. The logK values for the series with R = Me and EtNH2 were found to correlate with those of the series with R = H. The log of the 50% beta-hematin inhibitory activity (log BHIA(50)) was found to correlate with logK and either meta (sigma(m)) or para (sigma(p)) Hammett constants for the series with R = Me and EtNH2, but not the simple series with R = H. To further improve predictability, correlations with ab initio electrostatic parameters, namely Mulliken and CHelpG charges were investigated. The best correlations were found with CHelpG charges which indicated that logK values can be predicted from the charges on atom H-8 and the group X in the quinolinium species computed in vacuum, while log BHIA50 values can be predicted from the CHelpG charges on C-7, C-8 and N-1 for the neutral species in vacuum. These correlations indicate that association and inhibition of beta-hematin formation are separately determined. They also suggest that electron withdrawing groups at the 7-position, but not necessarily hydrophobic groups are required for hemozoin inhibition. The upshot is that the correlations imply that considerably more hydrophilic hemozoin inhibitors are feasible. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2013.04.040

文献信息

• METHOD OF IMPROVING STABILITY OF SWEET ENHANCER AND COMPOSITION CONTAINING STABILIZED SWEET ENHANCER
  申请人：TACHDJIAN Catherine

  公开号：US20120041078A1

  公开（公告）日：2012-02-16

  The present invention includes methods of stabilizing one or more sweet enhancers when they are exposed to a light source as well as liquid compositions containing one or more sweet enhancers and one or more photostabilizers.

  本发明包括在甜味增强剂暴露于光源时稳定一个或多个甜味增强剂的方法，以及包含一个或多个甜味增强剂和一个或多个光稳定剂的液体组合物。
• SWEET FLAVOR MODIFIER
  申请人：TACHDJIAN Catherine

  公开号：US20110245353A1

  公开（公告）日：2011-10-06

  The present invention includes compounds having structural formula (I), or pharmaceutically acceptable salts, solvate, and/or ester thereof. These compounds are useful as sweet flavor modifiers. The present invention also includes compositions comprising the present compounds and methods of enhancing the sweet taste of ingestible compositions. Furthermore, the present invention provides methods for preparing the compounds.

  本发明包括具有结构式(I)的化合物，或其药用可接受的盐、溶剂合物和/或酯。这些化合物可用作甜味调节剂。本发明还包括包含本发明的化合物的组合物以及增强可食用组合物甜味的方法。此外，本发明提供了制备这些化合物的方法。
• [EN] QUINOLYLPIPERAZINO SUBSTITUTED THIOLACTONE COMPOUNDS AND PROCESS FOR THE PREPARATION THEREOF<br/>[FR] COMPOSÉS DE THIOLACTONE À SUBSTITUTION QUINOLYLPIPÉRAZINO, ET PROCÉDÉ D'ÉLABORATION CORRESPONDANT
  申请人：COUNCIL SCIENT IND RES

  公开号：WO2011138666A1

  公开（公告）日：2011-11-10

  The present invention provides compounds of general formulae A, useful as potential anti-tubercular agents against Mycobacterium tuberculosis H37Rv, and drug-resistant Mycobacterium tuberculosis and a process for the preparation thereof. Formula (A).

  本发明提供通式A的化合物，可用作潜在的抗结核药物，用于对抗结核分枝杆菌H37Rv和耐药结核分枝杆菌，并提供其制备方法。通式A如下：
• ORGANIC LIGHT-EMITTING DEVICE
  申请人：Samsung Display Co., Ltd.

  公开号：EP3188277A1

  公开（公告）日：2017-07-05

  An organic light-emitting device comprises: a first electrode; a second electrode; and an organic layer between the first electrode and the second electrode, the organic layer comprising an emission layer, wherein the organic layer comprises a first compound represented by Formula 1 and a second compound represented by Formula 2, wherein a case where the first compound is 4,4'-bis(N-carbazolyl)-1,1'-biphenyl(CBP) is excluded:

  一种有机发光器件包括：第一电极；第二电极；以及位于第一电极和第二电极之间的有机层，有机层包括发射层，其中有机层包括由式 1 表示的第一化合物和由式 2 表示的第二化合物，其中不包括第一化合物为 4,4'-双（N-咔唑基）-1,1'-联苯（CBP）的情况：
• Studies in the Quinoline Series. IV. Quinolyl Mercaptans and Sulfides
  作者：Alice G. Renfrew

  DOI：10.1021/ja01212a011

  日期：1946.8