2-difluoromethoxy-4-fluoro-benzonitrile | 933772-76-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 2-difluoromethoxy-4-fluoro-benzonitrile
• 英文别名: 2-(Difluoromethoxy)-4-fluorobenzonitrile
• CAS: 933772-76-0
• 化学式: C₈H₄F₃NO
• 分子量: 187.121
• InChiKey: NHULGJLESSCSTP-UHFFFAOYSA-N

物化性质

• 沸点：
  234.3±35.0 °C(Predicted)
• 密度：
  1.35±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  33
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2-difluoromethoxy-4-fluoro-benzonitrile 在 sodium hydride 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 0.5h， 生成 2-difluoromethoxy-4-[2-(4-trifluoromethyl-phenyl)-4-(4-trifluoromethyl-piperidin-1-ylmethyl)-thiazol-5-ylmethoxy]-benzonitrile
  参考文献：
  名称：

  WO2007/39172

  摘要：

  公开号：
• 作为产物：
  描述：

  2-氯-2,2-二氟乙酸甲酯 、 4-氟-2-羟基苯腈 在 potassium carbonate 作用下， 以 异丁酰胺 为溶剂， 反应 3.0h， 生成 2-difluoromethoxy-4-fluoro-benzonitrile
  参考文献：
  名称：

  Phenyl-1,2,4-Oxadiazolone Derivatives, Processes For Their Preparation and Methods For Their Use as Pharmaceuticals

  摘要：

  本发明的创新化合物由苯基和吡啶基-1,2,4-噁二唑酮衍生物以及它们的生理上可接受的盐和功能衍生物组成，已被证明具有过氧化物酶体增殖激活受体（PPARδ）激动剂活性。本发明的化合物由以下公式组成：其中取代基R1-R5和R7-R10在此定义。这些化合物在哺乳动物的脂质和碳水化合物代谢的调节和调控方面具有治疗效果，因此适用于治疗糖尿病、动脉粥样硬化、心血管疾病等疾病。

  公开号：

  US20080261979A1

文献信息

• Phenyl-[1,2,4]-oxadiazol-5-one Derivatives, Pharmaceutical Compositions and Therapeutic Use Thereof
  申请人：Keil Stefanie

  公开号：US20080262036A1

  公开（公告）日：2008-10-23

  The present invention comprises phenyl-[1,2,4]-oxadiazol-5-one derivatives of the general formula I: wherein the R1-R10 and B, U, V, W, X, Y and Z substituents are defined herein. The claimed invention also comprises the compounds isomers and their physiologically acceptable salts as well as processes for their preparation. The compounds are suitable for the treatment and/or prevention of disorders of fatty acid metabolism and glucose utilization disorders as well as of disorders in which insulin resistance is involved and demyelinating and other neurodegenerative disorders of the central and peripheral nervous system.

  本发明涉及一般式I的苯基-[1,2,4]-噁二唑-5-酮衍生物，其中R1-R10和B、U、V、W、X、Y和Z取代基在此定义。所述发明还包括所述化合物的异构体及其生理上可接受的盐，以及它们的制备方法。所述化合物适用于治疗和/或预防脂肪酸代谢障碍和葡萄糖利用障碍，以及胰岛素抵抗涉及的障碍以及中枢和外周神经系统的脱髓鞘和其他神经退行性疾病的治疗。
• PHENYL-1,2,4-OXADIAZOLONE DERIVATIVES WITH PHENYL GROUP, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS
  申请人：Bernardelli Patrick

  公开号：US20090281084A1

  公开（公告）日：2009-11-12

  The invention relates to phenyl-1,2,4-oxadiazolone derivatives with phenyl group and to their physiologically acceptable salts and physiologically functional derivatives showing PPARdelta agonist activity. What are described are compounds of the formula I, in which the radicals are as defined, and their physiologically acceptable salts and processes for their preparations. The compounds are suitable for the treatment and/or prevention of disorders of fatty acid metabolism and glucose utilization disorders as well as of disorders in which insulin resistance is involved and demyelinating and other neurodegenerative disorders of the central and peripheral nervous system.

  本发明涉及具有苯基的苯基-1,2,4-噁二唑酮衍生物及其生理上可接受的盐和生理上功能衍生物，显示PPARδ激动剂活性。所描述的是式I的化合物，其中基团如定义所述，以及它们的生理上可接受的盐和它们的制备方法。这些化合物适用于治疗和/或预防脂肪酸代谢障碍和葡萄糖利用障碍以及胰岛素抵抗涉及的障碍以及中枢和外周神经系统的脱髓鞘和其他神经退行性疾病。
• PHENYL AND PYRIDINYL-1,2,4-OXADIAZOLONE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS
  申请人：Bernardelli Patrick

  公开号：US20080287409A1

  公开（公告）日：2008-11-20

  The present invention comprises phenyl and pyridinyl 1,2,4-oxadiazolone compounds their physiologically acceptable salts and physiologically functional derivatives that exhibit peroxisome proliferator activator receptor (PPAR) delta agonist activity. Also described and claimed are processes for their preparation and their use as pharmaceuticals. These are compounds of formula I, in which the R-group substituents are defined herein. The compounds are suitable for the treatment and/or prevention of disorders of fatty acid metabolism and glucose utilization disorders as well as of disorders in which insulin resistance is involved and de-myelinating and other neurodegenerative disorders of the central and peripheral nervous system.

  本发明涉及苯基和吡啶基1,2,4-噁二唑酮化合物及其生理上可接受的盐和生理功能衍生物，其表现出过氧化物酶体增殖物激活受体（PPAR）δ激动剂活性。还描述和声明了它们的制备过程以及它们作为药物的用途。这些化合物的化学式为I，其中R基取代基在此定义。这些化合物适用于治疗和/或预防脂肪酸代谢障碍和葡萄糖利用障碍以及胰岛素抵抗涉及的疾病，以及中枢和外周神经系统的去髓鞘和其他神经退行性疾病。
• Phenyl-1,2,4-oxadiazolone derivatives with phenyl group, processes for their preparation and their use as pharmaceuticals
  申请人：Sanofi-Aventis

  公开号：US07851493B2

  公开（公告）日：2010-12-14

  The invention relates to phenyl-1,2,4-oxadiazolone derivatives with phenyl group and to their physiologically acceptable salts and physiologically functional derivatives showing PPARdelta agonist activity. What are described are compounds of the formula I, in which the radicals are as defined, and their physiologically acceptable salts and processes for their preparations. The compounds are suitable for the treatment and/or prevention of disorders of fatty acid metabolism and glucose utilization disorders as well as of disorders in which insulin resistance is involved and demyelinating and other neurodegenerative disorders of the central and peripheral nervous system.

  本发明涉及苯基-1,2,4-噁二唑酮衍生物，其具有苯基，并且具有其生理可接受的盐和生理功能衍生物，表现出PPARδ激动剂活性。所描述的是式I的化合物，其中基团如定义所述，以及其生理可接受的盐和制备它们的过程。这些化合物适用于治疗和/或预防脂肪酸代谢紊乱和葡萄糖利用紊乱以及胰岛素抵抗涉及的疾病，以及中枢和外周神经系统的脱髓鞘和其他神经退行性疾病。
• Phenyl-[1,2,4]-oxadiazol-5-one derivatives, pharmaceutical compositions and therapeutic use thereof
  申请人：Sanofi-Aventis

  公开号：US07834030B2

  公开（公告）日：2010-11-16

  The present invention comprises phenyl-[1,2,4]-oxadiazol-5-one derivatives of the general formula I: wherein the R1-R10 and B, U, V, W, X, Y and Z substituents are defined herein. The claimed invention also comprises the compounds isomers and their physiologically acceptable salts as well as processes for their preparation. The compounds are suitable for the treatment and/or prevention of disorders of fatty acid metabolism and glucose utilization disorders as well as of disorders in which insulin resistance is involved and demyelinating and other neurodegenerative disorders of the central and peripheral nervous system.

  本发明涉及一般式I的苯基-[1,2,4]-噁二唑-5-酮衍生物，其中R1-R10和B，U，V，W，X，Y和Z取代基在此定义。所述发明还包括该化合物异构体及其生理上可接受的盐以及其制备方法。该化合物适用于治疗和/或预防脂肪酸代谢障碍和葡萄糖利用障碍以及涉及胰岛素抵抗的疾病和中枢神经系统和外周神经系统的脱髓鞘和其他神经退行性疾病的治疗。