N-cyclopropyl-3,4-difluoroaniine

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: N-cyclopropyl-3,4-difluoroaniine
• 英文别名: N-cyclopropyl-3,4-difluoroaniline
• 化学式: C₉H₉F₂N
• 分子量: 169.174
• InChiKey: BUDVTPDGULMACY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 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：

  N-cyclopropyl-3,4-difluoroaniine 在 air 作用下， 以9%的产率得到3’,4’-二氟乙酰苯胺
  参考文献：
  名称：

  Air Oxidation of N-Cyclopropylanilines

  摘要：

  Air oxidation of N-cyclopropylanilines was shown to occur under either ambient conditions or accelerated conditions (warming or shining light) in an open container. A subsequent fragmentation resulted in formation of the corresponding acetamide. While potential mechanisms have been previously proposed, simple aerobic oxidation to beta-hydroxy-propionamides in the absence of a radical promoter has not been previously reported.

  DOI：

  10.1080/00397911.2010.545166
• 作为产物：
  描述：

  3,4-二氟苯胺 在 aluminum (III) chloride 、 sodium tetrahydroborate 作用下， 以 四氢呋喃 、 甲醇 、 溶剂黄146 为溶剂， 生成 N-cyclopropyl-3,4-difluoroaniine
  参考文献：
  名称：

  Air Oxidation of N-Cyclopropylanilines

  摘要：

  Air oxidation of N-cyclopropylanilines was shown to occur under either ambient conditions or accelerated conditions (warming or shining light) in an open container. A subsequent fragmentation resulted in formation of the corresponding acetamide. While potential mechanisms have been previously proposed, simple aerobic oxidation to beta-hydroxy-propionamides in the absence of a radical promoter has not been previously reported.

  DOI：

  10.1080/00397911.2010.545166

文献信息

• [EN] NEW PYRIMIDINE DERIVATIVES FOR PREVENTION AND TREATMENT OF GRAM-NEGATIVE BACTERIAL INFECTION, CONTAMINATION AND FOULING<br/>[FR] NOUVEAUX DÉRIVÉS DE PYRIMIDINE POUR LA PRÉVENTION ET LE TRAITEMENT D'UNE INFECTION, D'UNE CONTAMINATION ET DE SALISSURES PAR UNE BACTÉRIE À GRAM NÉGATIF
  申请人：UNIV LIEGE

  公开号：WO2020212553A1

  公开（公告）日：2020-10-22

  New pyrimidine derivatives together with a membrane penetrating agent, optionally with a detectable isotope and pharmaceutical composition for use in treatment or prevention of Gram-negative bacterial infection in a host mammal in need of such treatment or prevention and use as inhibitors of Gram-negative biofilm formation on a surface of biomaterial or medical device, particularly of cardiovascular device such as prosthetic heart valve or pacemakers. New pyrimidine derivatives together with a membrane penetrating agent; for use as radiotracer in diagnosing or prognosing Gram-negative bacterial infection in a host mammal.

  新的嘧啶衍生物与膜穿透剂一起，可选地带有可检测同位素和药物组合物，用于治疗或预防宿主哺乳动物体内需要此类治疗或预防的革兰氏阴性细菌感染，并用作抑制生物材料或医疗器械表面上的革兰氏阴性生物膜形成的抑制剂，特别是心血管器械，如假体心脏瓣膜或起搏器。新的嘧啶衍生物与膜穿透剂一起；用作放射示踪剂，用于诊断或预测宿主哺乳动物体内的革兰氏阴性细菌感染。
• [EN] COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES<br/>[FR] COMPOSÉS ET COMPOSITIONS POUR LE TRAITEMENT DE MALADIES PARASITAIRES
  申请人：IRM LLC

  公开号：WO2014078802A1

  公开（公告）日：2014-05-22

  The present invention provides compounds of formula I: [INSERT FORMULA HERE] or a pharmaceutically acceptable salt, tautomer, or stereoisomer, thereof, wherein the variables are as defined herein. The present invention further provides pharmaceutical compositions comprising such compounds and methods of using such compounds for treating, preventing, inhibiting, ameliorating, or eradicating the pathology and/or symptomology of a disease caused by a Plasmodium parasite, such as malaria.

  本发明提供了化合物的公式I：[在此插入公式]或其药学上可接受的盐、互变异构体或立体异构体，其中变量如本文所定义。本发明还提供了包含这种化合物的药物组合物以及使用这种化合物用于治疗、预防、抑制、改善或根除由疟原虫引起的疾病的病理学和/或症状学的方法，例如疟疾。
• Practical Synthesis of<i>N</i>-Cyclopropylanilines via Direct Condensation of Anilines with [(1-Ethoxycyclopropyl)oxy]trimethylsilane
  作者：Yasuo Yoshida、Kazuto Umezu、Yusuke Hamada、Naoya Atsumi、Fumiya Tabuchi

  DOI：10.1055/s-2003-42072

  日期：——

  N-Cyclopropylanilines were obtained in high yield through the condensation reaction of anilines with [(1-ethoxycyclopropyl)oxy]trimethylsilane by a simple two-steps operating process, without purification of the intermediate, 1-alkoxy-1-anilinocyclopropane.

  N-环丙基苯胺通过苯胺与[(1-乙氧基环丙基)氧]三甲基硅烷的缩合反应，以高产率获得，采用简单的两步操作过程，无需对中间体1-烷氧基-1-苯胺环丙烷进行纯化。
• [EN] AN IMPROVED PROCESS FOR SYNTHESIS OF TICAGRELOR<br/>[FR] PROCÉDÉ AMÉLIORÉ POUR LA SYNTHÈSE DE TICAGRELOR
  申请人：AVRA LABORATORIES PVT LTD

  公开号：WO2017072790A1

  公开（公告）日：2017-05-04

  The present invention discloses an improved and cost effective process for preparation of Ticagrelor in good yield and purity. The invention further discloses novel Polymorphic Form of Ticagrelor and its process for preparation thereof.

  本发明揭示了一种改进的、成本效益高的制备Ticagrelor的过程，可获得良好的产量和纯度。本发明进一步揭示了Ticagrelor的新型多形式和其制备过程。
• COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES
  申请人：CHATTERJEE Arnab Kumar

  公开号：US20150344471A1

  公开（公告）日：2015-12-03

  The present invention provides compounds of formula I: or a pharmaceutically acceptable salt, tautomer, or stereoisomer, thereof, wherein the variables are as defined herein. The present invention further provides pharmaceutical compositions comprising such compounds and methods of using such compounds for treating, preventing, inhibiting, ameliorating, or eradicating the pathology and/or symptomology of a disease caused by a Plasmodium parasite, such as malaria.

  本发明提供式I的化合物：或其药学上可接受的盐、互变异构体或立体异构体，其中变量如本文所定义。本发明还提供包含这种化合物的制药组合物以及使用这种化合物治疗、预防、抑制、改善或消除由疟原虫等引起的疾病的病理学和/或症状学的方法。