3,4-difluoro-N-phenylaniline | 546634-56-4

• 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: 3,4-difluoro-N-phenylaniline
• 英文别名: 3,4-difluorophenylphenylamine
• CAS: 546634-56-4
• 化学式: C₁₂H₉F₂N
• mdl: MFCD24392810
• 分子量: 205.207
• InChiKey: GQRMKUCJCDBNJE-UHFFFAOYSA-N

物化性质

• 沸点：
  281.9±30.0 °C(Predicted)
• 密度：
  1.252±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 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：

  三光气 、 3,4-difluoro-N-phenylaniline 在 三乙胺 作用下， 以 氯仿 为溶剂， 生成 C₁₄H₈Cl₃F₂NO₂
  参考文献：
  名称：

  Discovery of novel spiro-piperidine derivatives as highly potent and selective melanin-concentrating hormone 1 receptor antagonists

  摘要：

  Optimization of high-throughput screening hit 1a led to the identification of a novel spiro-piperidine class of melanin-concentrating hormone 1 receptor (MCH-1R) antagonists. Compound 3c was identified as a highly potent and selective MCH-1R antagonist, which has an IC50 value of 0.09 nM at hMCH-1R. The synthesis and structure-activity relationships of the novel spiro-piperidine MCH-1R antagonists are described. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.04.016
• 作为产物：
  描述：

  溴苯 、 3,4-二氟苯胺 在 三叔丁基膦 、 palladium diacetate sodium t-butanolate 作用下， 以 甲苯 为溶剂， 以92%的产率得到3,4-difluoro-N-phenylaniline
  参考文献：
  名称：

  OLIGOANILINE COMPOUND

  摘要：

  公开号：

  EP2143708B1

文献信息

• [EN] FLUOROPHENYL SUBSTITUTED MUSCARINIC RECEPTOR LIGANDS WITH SELECTIVITY FOR M3 OVER M2<br/>[FR] LIGANDS DES RÉCEPTEURS MUSCARINIQUES À SUBSTITUTION FLUOROPHÉNYLE AYANT UNE SÉLECTIVITÉ POUR M3 SUR M2
  申请人：UNIV FRIEDRICH ALEXANDER ER

  公开号：WO2019110521A1

  公开（公告）日：2019-06-13

  The present invention relates to fluorophenyl substituted muscarinic receptor ligands with selectivity for M3 over M2 and to the use of these compounds in the treatment of various diseases such as asthma, chronic obstructive pulmonary disease (COPD), bronchopulmonary dysplasia (BPD) and urinary incontinence.

  本发明涉及氟苯基取代的毒蕈碱受体配体，其对M3受体的选择性高于M2受体，并涉及这些化合物在治疗哮喘、慢性阻塞性肺病（COPD）、支气管肺发育不良（BPD）和尿失禁等各种疾病中的用途。
• PROSTACYCLIN RECEPTOR AGONIST
  申请人：Medshine Discovery Inc.

  公开号：EP3750879A1

  公开（公告）日：2020-12-16

  A compound represented by formula (I) or an isomer or a pharmaceutically acceptable salt thereof. The present invention also relates to an application of the same in preparing a drug for treating a disease related to a PGI2 receptor.

  由化学式（I）表示的化合物或其异构体或其药用可接受的盐。本发明还涉及将其用于制备用于治疗与PGI2受体相关的疾病的药物的应用。
• Oligoaniline compound
  申请人：Nissan Chemical Industries, Ltd.

  公开号：US08298444B2

  公开（公告）日：2012-10-30

  Any of the oligoaniline compounds with a triphenylamine structure represented by the formula (1) exhibits satisfactory light emitting efficiency and brightness performance when used in either an OLED device or a PLED device and is further satisfactory in the solubility in organic solvents so as to be applicable to various coating methods. (each of R1 and R2 independently is a hydrogen atom, an optionally substituted monovalent hydrocarbon group, t-butoxycarbonyl, etc.; each of R3 to R34 independently is a hydrogen atom, hydroxyl, silanol, thiol, carboxyl, a phosphoric group, a phosphoric ester group, ester, thioester, amido, nitro, an optionally substituted monovalent hydrocarbon group, etc.; and each of m and n is an integer of 1 or greater provided that they satisfy the relationship m+n ≦20).

  公式（1）所代表的三苯胺结构的寡聚苯胺化合物中的任何一种，在OLED器件或PLED器件中使用时，都表现出令人满意的发光效率和亮度性能，并且在有机溶剂中的溶解性也令人满意，因此可适用于各种涂覆方法。（其中，每个R1和R2都独立地是氢原子、可选择取代的一价碳氢基团、t-叔丁氧羰基等；每个R3到R34都独立地是氢原子、羟基、硅醇、硫醇、羧基、磷酸基、磷酸酯基、酯、硫代酯、酰胺、硝基、可选择取代的一价碳氢基团等；每个m和n都是大于等于1的整数，前提是它们满足m+n≤20的关系）。
• H₂O ⋅ B(C₆F₅)₃‐Catalyzed <i>para</i>‐Alkylation of Anilines with Alkenes Applied to Late‐Stage Functionalization of Non‐Steroidal Anti‐Inflammatory Drugs
  作者：Laura Winfrey、Lei Yun、Ginevra Passeri、Kogularamanan Suntharalingam、Alexander P. Pulis

  DOI：10.1002/chem.202303130

  日期：2024.3

  Anilines are core motifs in a variety of important molecules including medicines, materials and agrochemicals. We report a straightforward procedure that allows access to new chemical space of anilines via their para‐C−H alkylation. The method utilizes commercially available catalytic H₂O ⋅ B(C₆F₅)₃ and is highly selective for para‐C‐alkylation (over N‐alkylation and ortho‐C‐alkylation) of anilines, with a wide scope in both the aniline substrates and alkene coupling partners. Readily available alkenes are used, and include new classes of alkene for the first time. The mild reaction conditions have allowed the procedure to be applied to the late‐stage‐functionalization of non‐steroidal anti‐inflammatory drugs (NSAIDs), including fenamic acids and diclofenac. The formed novel NSAID derivatives display improved anti‐inflammatory properties over the parent NSAID structure.

  摘要 苯胺是多种重要分子（包括药物、材料和农用化学品）的核心基团。我们报告了一种简单易行的方法，可通过对位 C-H 烷基化进入苯胺的新化学空间。该方法利用市场上可买到的催化 H2O⋅B(C6F5)3 对苯胺的对位-C-烷基化（优于 N-烷基化和正交-C-烷基化）具有高度选择性，在苯胺底物和烯烃偶联剂方面都有广泛的应用范围。该方法使用了现成的烯烃，并首次使用了新类别的烯烃。由于反应条件温和，该方法可用于非甾体抗炎药（NSAID）的后期功能化，包括非那西酸和双氯芬酸。与母体非甾体抗炎药结构相比，所形成的新型非甾体抗炎药衍生物具有更好的抗炎特性。
• BIS-ARYL COMPOUNDS FOR USE AS MEDICAMENTS
  申请人：Biolipox AB

  公开号：EP2274280A2

  公开（公告）日：2011-01-19