4-(4-pyridyl)butylamine | 62174-83-8

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 4-(4-pyridyl)butylamine
• 英文别名: 4-(Pyridin-4-yl)butan-1-amine；4-pyridin-4-ylbutan-1-amine
• CAS: 62174-83-8
• 化学式: C₉H₁₄N₂
• 分子量: 150.224
• InChiKey: RKWNXDUZHXYGLN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  11
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  38.9
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4-(4-pyridyl)butylamine 在 lithium aluminium tetrahydride 作用下， 以 四氢呋喃 为溶剂， 反应 2.0h， 生成 Ethyl-(4-pyridin-4-yl-butyl)-amine
  参考文献：
  名称：

  Synthesis and evaluation of halogenated dibenzodiazepines as muscarinic receptor ligands

  摘要：

  Syntheses of four novel amide analogues of the muscarinic M-2 receptor antagonists, DIBA and BIBN 140, are described from a common intermediate. Pharmacological evaluation through in vitro assays reveals high muscarinic receptor affinity in each of the compounds, but variable subtype selectivity, primarily M-2 but in one case M-3. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0960-894x(97)00109-1
• 作为产物：
  描述：

  4-吡啶丙醇 在 盐酸 、 lithium aluminium tetrahydride 、 zinc(II) chloride 作用下， 以 乙醚 、 二甲基亚砜 为溶剂， 反应 29.0h， 生成 4-(4-pyridyl)butylamine
  参考文献：
  名称：

  Synthesis and evaluation of halogenated dibenzodiazepines as muscarinic receptor ligands

  摘要：

  Syntheses of four novel amide analogues of the muscarinic M-2 receptor antagonists, DIBA and BIBN 140, are described from a common intermediate. Pharmacological evaluation through in vitro assays reveals high muscarinic receptor affinity in each of the compounds, but variable subtype selectivity, primarily M-2 but in one case M-3. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0960-894x(97)00109-1

文献信息

• Structural Factors Affecting the Basicity of ?-Pyridylalkanols, ?-Pyridylalkanamides and ?-Pyridylalkylamines
  作者：Joachim M. Mayer、Bernard Testa

  DOI：10.1002/hlca.19820650621

  日期：1982.9.22

  The present paper describes the preparation by conventional methods (when not available commercially) and the pKa-determination of the α-, β- and γ-isomers of pyridylethanamide, 3-pyridylpropanamide. 4-pyridylbutanamide, 5-pyridyl-pentanamide, pyridylmethanol, 2-pyridylethanol, 3-pyridylpropanol, 4-pyridyl-butanol, 5-pyridylpentanol, pyridylmethylamine, 2-pyridylethylamine, 3-pyridyl-propylamine, 4-pyridylbutylamine

  本文件描述了通过常规方法制备（当不市售）和p ķ一个所述的α--determination，β-和pyridylethanamide的γ -异构体，3- pyridylpropanamide。4-吡啶基丁酰胺，5-吡啶基戊酰胺，吡啶甲醇，2-吡啶基乙醇，3-吡啶基丙醇，4-吡啶基丁醇，5-吡啶基戊醇，吡啶基甲胺，2-吡啶基乙胺，3-吡啶基-丙胺，4-吡啶基丁胺和5-吡啶基戊胺。尽管场效应解释了p K a随链长变化的许多变化，但在某些甲基和乙基同系物中，明显的感应效应是有效的。在P ķ一在属于α系列的一些较低的同系物中，分子内H键的递减影响也是明显的。
• Self-stacking of naphthalene bis(dicarboximide)s probed by NMR †
  作者：Vera Steullet、Dabney W. Dixon

  DOI：10.1039/a801441h

  日期：——

  The self-stacking in water of a series of naphthalene-1,8∶4,5-bis(dicarboximide)s (also known as naphthalene diimides, NDIs) bearing cationic side chains has been studied using NMR techniques. The position of the charge in the side chain has a strong effect on the propensity of the NDI to self-stack. Examples with a cationic center three atoms away from the NDI ring in general do not self-stack; those with cationic centers further out on the side chains are prone to self-stack at NMR concentrations. The size of the side chain per se does not appear to be a significant controlling factor; even a derivative with biotin side chains shows no evidence of self-stacking. Increasing the ionic strength of the solution can also induce stacking. Derivatives with aromatic side chains can show intramolecular self-stacking of the side chain with the central NDI ring. This is significant for side chains with isoquinoline and bipyridine groups but not significant for side chains with pyridine groups. An example of an NDI that undergoes both intramolecular and intermolecular stacking is the derivative bearing side chains ending in Ru(bpy)32+ moieties. In methanol, the shift patterns of the aromatic resonances of the bipyridine rings are very close to those of a model compound. However, a more complicated chemical shift pattern is seen in water. This indicates that conformations with the Ru(bpy)32+ moieties lying at least partly within the shielding cone of the aromatic NDI system are favored. Molecular modeling indicates that conformations in which the bipyridine ring interacts with the NDI ring are readily achievable. The temperature dependence of the chemical shifts for this molecule indicates that both intramolecular interactions of the bipyridine rings with the NDI ring and self-stacking of the NDI rings are significant.

  使用核磁共振技术研究了一系列带有阳离子侧链的萘-1,8‖4,5-双(二氧亚胺)(也称为萘二亚胺,NDI)在水中的自堆叠现象。侧链上的电荷位置对NDI的自堆叠倾向有强烈影响。通常,阳离子中心与NDI环相隔三原子的例子不会自堆叠;而阳离子中心位于侧链更远处的则倾向于在核磁共振浓度下自堆叠。侧链的大小本身似乎不是重要的控制因素;甚至带有生物素侧链的衍生物也未显示出自堆叠的证据。增加溶液的离子强度也可以诱导堆叠。带有芳香侧链的衍生物可以显示侧链与中央NDI环的分子内自堆叠。这对于带有异喹啉和联吡啶基团的侧链是显著的,但对于带有吡啶基团的侧链则不显著。一个同时经历分子内和分子间堆叠的NDI例子是带有侧链末端为Ru(bpy)32+基团的衍生物。在甲醇中,联吡啶环的芳香共振位移模式与模型化合物非常接近。然而,在水中的化学位移模式更为复杂。这表明,Ru(bpy)32+基团至少部分位于芳香NDI系统的屏蔽锥内的构象是受青睐的。分子模拟表明,联吡啶环与NDI环相互作用的构象容易实现。该分子化学位移的温度依赖性表明,联吡啶环与NDI环的分子内相互作用以及NDI环的自堆叠都是显著的。
• Use of substituted 2 phenylbenzimidazoles as medicaments
  申请人：Streicher Ruediger

  公开号：US20050014810A1

  公开（公告）日：2005-01-20

  The present invention relates to the use of a substituted 2-phenylbenzimidazole of formula I wherein R 1 , R 2 , R 3 , R 4 , R 5 and m have the meanings given in the claims, for the preparation of a medicament for the treatment or prevention of diseases involving glucagon receptors, as well as new compounds of formula I wherein R 1 is a group of formula

  本发明涉及使用式I的取代2-苯基苯并咪唑，其中R1、R2、R3、R4、R5和m具有权利要求中给出的含义，用于制备治疗或预防涉及胰高血糖素受体疾病的药物，以及式I的新化合物，其中R1是一个公式的基团。
• Pyrido[2,1-b]quinazoline derivatives useful as agents for treatment of
  申请人：Hoffmann-La Roche Inc.

  公开号：US04551460A1

  公开（公告）日：1985-11-05

  Pyrido[2,1-b]quinazoline derivatives of the formulas ##STR1## wherein R.sub.1, R.sub.2 and R.sub.3 are as hereinafter set forth, are described. The compounds of formulas I and II are useful as agents for the treatment of allergic conditions as well as for the treatment of vascular disorders involving thrombosis.

  该文描述了化合物的结构公式为##STR1##其中R.sub.1、R.sub.2和R.sub.3如下所述的吡啶[2,1-b]喹唑啉衍生物。公式I和II的化合物可用作治疗过敏症状的药物，也可用于治疗涉及血栓形成的血管疾病。
• <i>O</i>-Benzoylhydroxylamines as Alkyl Nitrene Precursors: Synthesis of Saturated N-Heterocycles from Primary Amines
  作者：Hidetoshi Noda、Yasuko Asada、Masakatsu Shibasaki

  DOI：10.1021/acs.orglett.0c02842

  日期：2020.11.20

  We introduce O-benzoylhydroxylamines as competent alkyl nitrene precursors. The combination of readily available, stable substrates and a proficient rhodium catalyst provides a straightforward means for the construction of various pyrrolidine rings from the corresponding primary amines. Preliminary mechanistic investigation suggests that the structure of the nitrene precursor plays a role in determining

  我们介绍O-苯甲酰基羟胺作为烷基氮的有效前体。容易获得的，稳定的底物和熟练的铑催化剂的结合为由相应的伯胺构建各种吡咯烷环提供了直接的方法。初步的机械研究表明，腈前体的结构在确定所得反应性中间体的性质方面起作用。