(3-fluoro-phenyl)-(4-fluoro-phenyl)-amine | 330-51-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: (3-fluoro-phenyl)-(4-fluoro-phenyl)-amine
• 英文别名: (3-Fluor-phenyl)-(4-fluor-phenyl)-amin；3-Fluoro-N-(4-fluorophenyl)aniline
• CAS: 330-51-8
• 化学式: C₁₂H₉F₂N
• 分子量: 205.207
• InChiKey: VNEPDNYADJKDAL-UHFFFAOYSA-N

物化性质

• 沸点：
  280.3±25.0 °C(Predicted)
• 密度：
  1.252±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  12
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  (3-fluoro-phenyl)-(4-fluoro-phenyl)-amine 在 吡啶 作用下， 以 二氯甲烷 为溶剂， 生成 (2R)-2-[(N-3-Fluorophenyl-N-4-fluorophenylcarbamoyloxy)methyl]-5-[(ethoxycarbonyl)methoxy]-2-hydroxy-1,2,3, 4-tetrahydronaphthalene
  参考文献：
  名称：

  Metabolism investigation leading to novel drug design 2: Orally active prostacyclin mimetics. Part 5

  摘要：

  A metabolism study of FK788 (2) led to the discovery of new diphenylcarbamoyl derivatives as prostacyclin mimetics without the PG skeleton. We designed and evaluated PGI(2) mimetics based on blocking the main metabolic pathway of FK788. The new compound 7c was found to be equipotent to FK788 towards PGI(2) agonist activity and metabolically more stable than FK788. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.06.033
• 作为产物：
  描述：

  4-氟乙酰苯胺 在 sodium hydroxide 、 potassium carbonate 、 copper(l) chloride 作用下， 以 乙醇 、 xylene 为溶剂， 生成 (3-fluoro-phenyl)-(4-fluoro-phenyl)-amine
  参考文献：
  名称：

  Metabolism investigation leading to novel drug design 2: Orally active prostacyclin mimetics. Part 5

  摘要：

  A metabolism study of FK788 (2) led to the discovery of new diphenylcarbamoyl derivatives as prostacyclin mimetics without the PG skeleton. We designed and evaluated PGI(2) mimetics based on blocking the main metabolic pathway of FK788. The new compound 7c was found to be equipotent to FK788 towards PGI(2) agonist activity and metabolically more stable than FK788. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.06.033

文献信息

• The Preparation of Some Fluorophenothiazines¹
  作者：ARTHUR ROE、JOHN A. MONTGOMERY、WILLIS A. YARNALL、V. A. HOYLE

  DOI：10.1021/jo01107a005

  日期：1956.1
• [EN] COMPOUND FOR ORGANIC ELECTRIC DEVICE, ORGANIC ELECTRIC DEVICE USING SAME, AND ELECTRONIC DEVICE THEREOF<br/>[FR] COMPOSÉ POUR DISPOSITIF ÉLECTRIQUE ORGANIQUE, DISPOSITIF ÉLECTRIQUE ORGANIQUE FAISANT APPEL À CELUI-CI, ET DISPOSITIF ÉLECTRONIQUE ASSOCIÉ<br/>[KO] 유기전기소자용 화합물, 이를 이용한 유기전기소자 및 그 전자 장치
  申请人：DUK SAN NEOLUX CO LTD

  公开号：WO2021162384A1

  公开（公告）日：2021-08-19

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