2-Fluoro-2-phenylethylamine | 55601-20-2

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 2-Fluoro-2-phenylethylamine
• 英文别名: β-fluoro-β-phenylamine；2-fluoro-2-phenylethanamine；2-fluoro-2-phenylethan-1-amine；1-Phenyl-1-fluor-2-amino-ethan；2-Fluor-2-phenylethylamin
• CAS: 55601-20-2
• 化学式: C₈H₁₀FN
• mdl: MFCD19204011
• 分子量: 139.173
• InChiKey: BNBAGEDGPDCSJP-UHFFFAOYSA-N

物化性质

• 沸点：
  217.3±20.0 °C(Predicted)
• 密度：
  1.053±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  10
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  26
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-Fluoro-2-phenylethylamine 、 8-butoxy-7-methoxy-2-oxo-1,2-dihydroquinoline-3-carbonyl chloride 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 0.5h， 以50%的产率得到8-butoxy-N-(2-fluoro-2-phenylethyl)-7-methoxy-2-oxo-1H-quinoline-3-carboxamide
  参考文献：
  名称：

  Fluorinated cannabinoid CB2 receptor ligands: Synthesis and in vitro binding characteristics of 2-oxoquinoline derivatives

  摘要：

  Cannabinoid receptor 2 (CB2) plays an important role in human physiology and the pathophysiology of different diseases, including neuroinflammation, neurodegeneration, and cancer. Several classes of CB2 receptor ligands, including 2-oxoquinoline derivatives, have been previously reported. We report the synthesis and results of in vitro receptor binding of a focused library of new fluorinated 2-oxoquinoline CB2 ligands. Twelve compounds, 13-16 18, 19, 21-24, 27, and 28 were synthesized in good yields in multiple steps. Human U87 glioma cells expressing either hCB1 (control) or hCB2 were generated via lentiviral transduction. In vitro competitive binding assay was performed using [H-3]CP-55,940 in U87hCB1 and U87hCB2 cells. Inhibition constant (K-i) values of compounds 13-16, 18, 19, 21-24, 27, and 28 for CB2 were >10,000,2.8, 5.0, 2.4, 22, 0.8, 1.4, >10,000, 486, 58, 620, and 2400 nM, respectively, and those for CB1 were >10,000 nM. Preliminary in vitro results suggest that six of these compounds may be useful for therapy of neuropathic pain, neuroinflammatory diseases and immune disorders. In addition, compound 19, with its subnanomolar K-i value, could be radiolabeled with F-18 and explored for PET imaging of CB2 expression. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2011.07.062
• 作为产物：
  描述：

  2-苯基氮丙啶 在 氢氟酸 作用下， 以 吡啶 、 苯 为溶剂， 反应 1.0h， 以78%的产率得到2-Fluoro-2-phenylethylamine
  参考文献：
  名称：

  Preparation of fluoro amines by the reaction of aziridines with hydrogen fluoride in pyridine solution

  摘要：

  DOI：

  10.1021/jo01314a023

文献信息

• 12-EPI PLEUROMUTILINS
  申请人：NABRIVA THERAPEUTICS AG

  公开号：US20160332963A1

  公开（公告）日：2016-11-17

  A compound selected from 14-O-[((Alkyl-, cycloalkyl-, heterocycloalkyl-, heteoroaryl-, or aryl)-sulfanyl)-acetyl]-12-epi-mutilins, or 14-O-[((Alkyl-, cycloalkyl-, heterocycloalkyl-, heteoroaryl-, or aryl)-oxy)-acetyl]-12-epi-mutilins, wherein 12-epi-mutilin is characterized in that the mutilin ring at position 12 is substituted by two substituents, the first substituent at position 12 of the mutilin ring is a methyl group which methyl group has the inverse stereochemistry compared with the stereochemistry of the methyl group at position 12 of the naturally occurring pleuromutilin ring, the second substituent at position 12 of the mutilin ring is a hydrocarbon group comprising at least one nitrogen atom and all other substituents of the mutilin ring having the same stereochemistry compared with the stereochemistry of the substituents at the corresponding positions in the naturally occurring pleuromutilin ring; optionally in the form of a salt and/or solvate, wherein the naturally occurring pleuromutilin is of formula processes for the preparation of such compounds and their use as pharmaceuticals.

  从14-O-[((烷基、环烷基、杂环烷基、杂环芳基或芳基)-硫基)-乙酰基]-12-epi-木替林，或14-O-[((烷基、环烷基、杂环烷基、杂环芳基或芳基)-氧基)-乙酰基]-12-epi-木替林中选择的一种化合物，其中12-epi-木替林的特征在于木替林环在位置12被两个取代基取代，木替林环在位置12的第一个取代基是一个甲基基团，该甲基基团的立体化学与天然存在的普鲁木替林环在位置12的甲基基团的立体化学相反，木替林环在位置12的第二个取代基是一个含有至少一个氮原子的碳氢基团，木替林环的所有其他取代基与天然存在的普鲁木替林环中相应位置的取代基的立体化学相同；可选地以盐和/或溶剂的形式存在，其中天然存在的普鲁木替林的化学式为 制备这类化合物的方法以及它们作为药物的用途。
• Iron(II)-Catalyzed Intermolecular Aminofluorination of Unfunctionalized Olefins Using Fluoride Ion
  作者：Deng-Fu Lu、Cheng-Liang Zhu、Jeffrey D. Sears、Hao Xu

  DOI：10.1021/jacs.6b07221

  日期：2016.9.7

  herein report a new catalytic method for intermolecular olefin aminofluorination using earth-abundant iron catalysts and nucleophilic fluoride ion. This method tolerates a broad range of unfunctionalized olefins, especially nonstyrenyl olefins that are incompatible with existing olefin aminofluorination methods. This new iron-catalyzed process directly converts readily available olefins to internal vicinal

  我们在此报告了一种使用地球丰富的铁催化剂和亲核氟离子进行分子间烯烃氨基氟化的新催化方法。该方法可耐受范围广泛的未官能化烯烃，尤其是与现有烯烃氨基氟化方法不相容的非苯乙烯基烯烃。这种新的铁催化工艺直接将容易获得的烯烃转化为具有高区域选择性（N 对 F）的内邻氟氨基甲酸酯，其中许多难以使用已知方法制备。初步的机理研究表明，可以使用手性铁催化剂进行不对称诱导，并且铁氮烯和碳正离子物质都可能是反应性中间体。
• Compounds for the treatment of diseases
  申请人：Brown Daniel Alan

  公开号：US20050222128A1

  公开（公告）日：2005-10-06

  The invention relates to compounds of formula (1) and to processes for the preparation of, intermediates used in the preparation of, compositions containing and the uses of, such derivatives. The compounds according to the present invention are useful in numerous diseases, disorders and conditions, in particular inflammatory, allergic and respiratory diseases, disorders and conditions.

  本发明涉及公式（1）的化合物，以及用于制备、用于制备的中间体、含有和使用这些衍生物的组合物的过程。根据本发明的化合物在许多疾病、紊乱和状况中具有用途，特别是在炎症性、过敏性和呼吸道疾病、紊乱和状况中。
• [EN] MULTICYCLIC COMPOUNDS AND USE OF SAME FOR TREATING TUBERCULOSIS<br/>[FR] COMPOSÉS MULTICYCLIQUES ET LEUR UTILISATION POUR LE TRAITEMENT DE LA TUBERCULOSE
  申请人：HARVARD COLLEGE

  公开号：WO2019140254A1

  公开（公告）日：2019-07-18

  Provided herein are multicyclic compounds useful for treating tuberculosis. Also provided are methods of treating tuberculosis using the compounds of the invention.

  本文提供了用于治疗结核病的多环化合物。还提供了使用本发明化合物治疗结核病的方法。
• [EN] ARYLALKYLAMINO-SUBSTITUTED QUINAZOLINE ANALOGUES<br/>[FR] ANALOGUES QUINAZOLINE A SUBSTITUTION D'ARYLALKYLAMINO
  申请人：NEUROGEN CORP

  公开号：WO2005087227A1

  公开（公告）日：2005-09-22

  Arylalkylamino-substituted quinazoline analogues are provided, of the Formula wherein variables are as described herein. Such compounds are ligands that may be used to modulate specific receptor activity in vivo or in vitro, and are particularly useful in the treatment of conditions associated with pathological receptor activation in humans, domesticated companion animals and livestock animals. Pharmaceutical compositions and methods for using such compounds to treat such disorders are provided, as are methods for using such ligands for receptor localization studies.

  提供了芳基烷基氨基取代的喹唑啉类似物，其化学式如下，其中变量如本文所述。这些化合物是配体，可用于体内或体外调节特定受体活性，并在治疗人类、驯养伴侣动物和家畜动物中与病理性受体激活相关的疾病方面特别有用。提供了用于治疗这些疾病的药物组合物和方法，以及用于受体定位研究的这类配体的方法。