3-氰基-4-氟吡啶 | 1060802-53-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 中文名称: 3-氰基-4-氟吡啶
• 中文别名: 3-氰基-2-氟吡啶
• 英文名称: 4-fluoronicotinonitrile
• 英文别名: 4-Fluoropyridine-3-carbonitrile
• CAS: 1060802-53-0
• 化学式: C₆H₃FN₂
• 分子量: 122.102
• InChiKey: BIUGUCBZWRUHGY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  9
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  36.7
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-氰基-4-氟吡啶 在 水 、 sodium hydride 、 lithium chloride 作用下， 以 四氢呋喃 、 二甲基亚砜 、 N,N-二甲基甲酰胺 为溶剂， 反应 4.17h， 生成 ethyl 2-(3-cyanopyridin-4-yl)-3-(dimethylamino)acrylate
  参考文献：
  名称：

  A Versatile Annulation Route to Primary-Amino-Substituted Naphthyridine Esters

  摘要：

  A straightforward four-step synthesis of primary-amino-substituted naphthyridine esters from commercially available cyanopyridines was described. The route makes use of a condensation reaction between pyridinyl acetates with N,N-dimethylformamide dimethylacetal (DMF-DMA) to form ortho-cyano vinylogous carbamates. These intermediates can undergo facile cyclization with ammonium acetate in acetic acid to generate the corresponding naphthyridine esters in good synthetic yields. The synthesis of primary-amino-substituted 7-azaquinoxaline was also described.

  DOI：

  10.1055/s-0033-1340111

文献信息

• Novel Tricyclic Compounds
  申请人：Wishart Neil

  公开号：US20090312338A1

  公开（公告）日：2009-12-17

  The invention provides a compound of Formula (I) pharmaceutically acceptable salts, pro-drugs, biologically active metabolites, stereoisomers and isomers thereof wherein the variable are defined herein. The compounds of the invention are useful for treating immunological and oncological conditions.

  这项发明提供了一个符合Formula (I)的化合物，其中包括药用盐、前药、生物活性代谢物、立体异构体和同分异构体，其中变量在此处定义。该发明的化合物对治疗免疫和肿瘤疾病有用。
• A General, One-Step Synthesis of Substituted Indazoles using a Flow Reactor
  作者：Rob C. Wheeler、Emma Baxter、Ian B. Campbell、Simon J. F. Macdonald

  DOI：10.1021/op100288t

  日期：2011.5.20

  Flow chemistry is a rapidly emerging technology within the pharmaceutical industry, both within medicinal and development chemistry groups. The advantages of flow chemistry, increased safety, improved reproducibility, enhanced scalability, are readily apparent, and we aimed to exploit this technology in order to provide small amounts of pharmaceutically interesting fragments via a safe and scalable

  流动化学是医药工业中快速发展的技术，无论是在药物化学领域还是在发展化学领域。流动化学的优点，增加的安全性，改进的可重复性，增强的可扩展性显而易见，我们的目标是利用这一技术，以通过安全且可扩展的途径提供少量可药用的片段，从而实现快速合成。需求量为多克。在这里，我们报告了一种通用且通用的途径，该途径利用流动化学来提供一系列已知的和新颖的吲唑，包括3-氨基和3-羟基类似物。
• Phenyl, Pyridine, Quinoline, Isoquinoline, Naphthyridine and Pyrazine Derivatives
  申请人：Binggeli Alfred

  公开号：US20080045544A1

  公开（公告）日：2008-02-21

  This invention is concerned with compounds of the formula and pharmaceutically acceptable salts thereof. The invention further relates to pharmaceutical compositions containing such compounds, to a process for their preparation and to their use for the treatment and/or prevention of diseases which are associated with the modulation of SST receptors subtype 5.

  这项发明涉及公式的化合物及其药用盐。该发明还涉及含有这种化合物的药物组合物，以及用于制备它们的过程以及它们用于治疗和/或预防与调节SST受体亚型5相关的疾病的用途。
• [EN] DIHYDROOROTATE DEHYDROGENASE INHIBITORS<br/>[FR] INHIBITEURS DE DIHYDROOROTATE DÉSHYDROGÉNASE
  申请人：JANSSEN BIOTECH INC

  公开号：WO2020161663A1

  公开（公告）日：2020-08-13

  Disclosed are compounds, compositions and methods for treating diseases, disorders, or medical conditions that are affected by the modulation of DHODH. Embodiments of such compounds are represented by Formula (I) as follows: 5 wherein R1, R2, R3, R4, R5a, R5b, X and Y, are defined herein.

  揭示了用于治疗受DHODH调节影响的疾病、疾病或医疗状况的化合物、组合物和方法。这些化合物的实施例由以下的化学式（I）表示：其中R1、R2、R3、R4、R5a、R5b、X和Y在此处被定义。
• CYCLOPROPYLAMINES AS LSD1 INHIBITORS
  申请人：INCYTE CORPORATION

  公开号：US20150225394A1

  公开（公告）日：2015-08-13

  The present invention is directed to cyclopropylamine derivatives which are LSD1 inhibitors useful in the treatment of diseases such as cancer.

  本发明涉及环丙胺衍生物，这些衍生物是LSD1抑制剂，可用于治疗癌症等疾病。