5-(3-bromophenyl)-3-(4-fluorophenyl)-4,5-dihydroisoxazole | 159876-20-7

• 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: 5-(3-bromophenyl)-3-(4-fluorophenyl)-4,5-dihydroisoxazole
• 英文别名: 5-(3-Bromophenyl)-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole
• CAS: 159876-20-7
• 化学式: C₁₅H₁₁BrFNO
• 分子量: 320.161
• InChiKey: BSAKHQFXFOVKJA-UHFFFAOYSA-N

物化性质

• 沸点：
  388.296±52.00 °C(Press: 760.00 Torr)(predicted)
• 密度：
  1.488±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  19
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  21.6
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  4-fluorobenzohydroximoyl chloride 、 3-溴苯乙烯 在 三乙胺 作用下， 以 乙醚 为溶剂， 以43%的产率得到5-(3-bromophenyl)-3-(4-fluorophenyl)-4,5-dihydroisoxazole
  参考文献：
  名称：

  Isoxazolines as antiinflammatory agents

  摘要：

  某些新型异噁唑啉化合物具有抑制5-脂氧合酶酶的能力，其化学式为(I)，其中R.sub.1为C.sub.1-C.sub.4烷基或--NR.sub.3 R.sub.4; R.sub.3和R.sub.4分别为H或C.sub.1-C.sub.4烷基; M为H或药用可接受的阳离子; A为C.sub.1-C.sub.6烷基，C.sub.2-C.sub.6烯基或C.sub.2-C.sub.6炔基; Ar为苯基或单、二或三取代苯基，其中取代基分别独立地选自卤素、C.sub.1-C.sub.4烷基和C.sub.1-C.sub.4烷氧基; n为0或1的整数; Y为H或C.sub.1-C.sub.4烷基; R.sub.2为C.sub.1-C.sub.10烷基，C.sub.1-C.sub.4芳基烷基或C.sub.2-C.sub.4芳基烯基; 而且，在所述芳基和所述芳基烷基和芳基烯基中的每个芳基基团可以被从一个到三个取代基独立地选自卤素、C.sub.1-C.sub.6烷基、C.sub.1-C.sub.6烷氧基、卤代C.sub.1-C.sub.4烷基、卤代C.sub.1-C.sub.4烷氧基、芳基-C.sub.1-C.sub.4烷氧基、苯氧基和单、二和三取代苯氧基，其中所述取代基独立地选自卤素、C.sub.1-C.sub.4烷基、C.sub.1-C.sub.4烷氧基和卤代C.sub.1-C.sub.4烷基。这些化合物在哺乳动物中治疗或缓解炎症性疾病、过敏和心血管疾病，并作为制备用于治疗此类疾病的药物组合物的活性成分。

  公开号：

  US05552424A1

文献信息

• NOVEL ISOXAZOLINES AS ANTIINFLAMMATORY AGENTS
  申请人：PFIZER INC.

  公开号：EP0669914A1

  公开（公告）日：1995-09-06
• [EN] NOVEL ISOXAZOLINES AS ANTIINFLAMMATORY AGENTS<br/>[FR] NOUVELLES ISOXAZOLINES UTILISEES COMME AGENTS ANTI-INFLAMMATOIRES
  申请人：——

  公开号：WO1994012481A1

  公开（公告）日：1994-06-09

  [EN] Certain novel isoxazoline compounds having the ability to inhibit the 5-lipoxygenase enzyme and having formula (I), wherein R1 is C1-C4 alkyl or -NR3R4; R3 and R4 are each independently H or C1-C4 alkyl; M is H or a pharmaceutically acceptable cation; A is C1-C6 alkylene, C2-C6 alkenylene or C2-C6 alkynylene; Ar is phenylene or mono-, di- or tri-substituted phenylene wherein the substituents are each independently selected from halogen, C1-C4 alkyl and C1-C4 alkoxy; n is an integer of 0 or 1; Y is H or C1-C4 alkyl; R2 is C1-C10 alkyl, C1-C4 arylalkyl or C2-C4 arylalkenyl; and said aryl and each aryl moiety in said arylalkyl and arylalkenyl may be substituted by from one to three substituents independently selected from halogen, C1-C6 alkyl, C1-C6 alkoxy, halosubstituted C1-C4 alkyl, halosubstituted C1-C4 alkoxy, aryl-C1-C4 alkoxy, phenoxy and mono-, di- and tri-substituted phenoxy wherein the substituents are each independently selected from halogen, C1-C4 alkyl, C1-C4 alkoxy and halosubstituted C1-C4 alkyl. These compounds are useful in the treatment or alleviation of inflammatory diseases, allergy and cardiovascular diseases in mammals and as the active ingredient in pharmaceutical compositions for treating such conditions.
  [FR] Certains nouveaux composés d'isoxazoline ont le pouvoir d'inhiber l'enzyme 5-lipoxygénase et ont la formule (I) dans laquelle R1 représente alkyle C1-C4 ou -NR3R4; R3 et R4 représentent chacun indépendamment H ou alkyle C1-C4; M représente H ou un cation pharmaceutiquement acceptable; A représente alkylène C1-C6, alcénylène C2-C6 ou alkynylène C2-C6; Ar représente phénylène ou phénylène mono-, di- ou trisubstitué. Les substituants sont chacun indépendamment sélectionnés à partir d'halogène, alkyle C1-C4 et alcoxy C1-C4; n est un nombre entier de 0 à 1; Y représente H ou alkyle C1-C4; R2 représente alkyle C1-C10, arylalkyle C1-C4 ou arylalcényle C2-C4; et ledit aryle et chaque fraction d'aryle dans lesdits arylalkyle et arylalcényle peuvent être substitués à partir d'un ou trois substituants indépendamment sélectionnés à partir d'halogène, alkyle C1-C6, alcoxy C1-C6, alkyle C1-C4 halosubstitué, alcoxy C1-C4 halosubstitué, aryl-C1-C4 alcoxy, phénoxy et phénoxy mono- di- et trisubstitué. Les substituants sont chacun indépendamment sélectionnés à partir d'halogène, alkyle C1-C4, alcoxy C1-C4 et alkyle C1-C4 halosubstitué. Ces composés sont utilisés dans le traitement ou le soulagement des maladies inflammatoires, les allergies et les maladies cardio-vasculaires chez les mammifères et comme ingrédient actif de compositions pharmaceutiques pour traiter ces états.
• Isoxazolines as antiinflammatory agents
  申请人：Pfizer Inc.

  公开号：US05552424A1

  公开（公告）日：1996-09-03

  Certain novel isoxazoline compounds having the ability to inhibit the 5-lipoxygenase enzyme and having formula (I), ##STR1## wherein R.sub.1 is C.sub.1 -C.sub.4 alkyl or --NR.sub.3 R.sub.4 ; R.sub.3 and R.sub.4 are each independently H or C.sub.1 -C.sub.4 alkyl; M is H or a pharmaceutically acceptable cation; A is C.sub.1 -C.sub.6 alkylene, C.sub.2 -C.sub.6 alkenylene or C.sub.2 -C.sub.6 alkynylene; Ar is phenylene or mono-, di- or tri-substituted phenylene wherein the substituents are each independently selected from halogen, C.sub.1 -C.sub.4 alkyl and C.sub.1 -C.sub.4 alkoxy; n is an integer of 0 or 1; Y is H or C.sub.1 -C.sub.4 alkyl; R.sub.2 is C.sub.1 -C.sub.10 alkyl, C.sub.1 -C.sub.4 arylalkyl or C.sub.2 -C.sub.4 arylalkenyl; and said aryl and each aryl moiety in said arylalkyl and arylalkenyl may be substituted by from one to three substituents independently selected from halogen, C.sub.1 -C.sub.6 alkyl, C.sub.1 -C.sub.6 alkoxy, halosubstituted C.sub.1 -C.sub.4 alkyl, halosubstituted C.sub.1 -C.sub.4 alkoxy, aryl-C.sub.1 -C.sub.4 alkoxy, phenoxy and mono-, di- and tri-substituted phenoxy wherein the substituents are each independently selected from halogen, C.sub.1 -C.sub.4 alkyl, C.sub.1 -C.sub.4 alkoxy and halosubstituted C.sub.1 -C.sub.4 alkyl. These compounds are useful in the treatment or alleviation of inflammatory diseases, allergy and cardiovascular diseases in mammals and as the active ingredient in pharmaceutical compositions for treating such conditions.

  某些新型异噁唑啉化合物具有抑制5-脂氧合酶酶的能力，其化学式为(I)，其中R.sub.1为C.sub.1-C.sub.4烷基或--NR.sub.3 R.sub.4; R.sub.3和R.sub.4分别为H或C.sub.1-C.sub.4烷基; M为H或药用可接受的阳离子; A为C.sub.1-C.sub.6烷基，C.sub.2-C.sub.6烯基或C.sub.2-C.sub.6炔基; Ar为苯基或单、二或三取代苯基，其中取代基分别独立地选自卤素、C.sub.1-C.sub.4烷基和C.sub.1-C.sub.4烷氧基; n为0或1的整数; Y为H或C.sub.1-C.sub.4烷基; R.sub.2为C.sub.1-C.sub.10烷基，C.sub.1-C.sub.4芳基烷基或C.sub.2-C.sub.4芳基烯基; 而且，在所述芳基和所述芳基烷基和芳基烯基中的每个芳基基团可以被从一个到三个取代基独立地选自卤素、C.sub.1-C.sub.6烷基、C.sub.1-C.sub.6烷氧基、卤代C.sub.1-C.sub.4烷基、卤代C.sub.1-C.sub.4烷氧基、芳基-C.sub.1-C.sub.4烷氧基、苯氧基和单、二和三取代苯氧基，其中所述取代基独立地选自卤素、C.sub.1-C.sub.4烷基、C.sub.1-C.sub.4烷氧基和卤代C.sub.1-C.sub.4烷基。这些化合物在哺乳动物中治疗或缓解炎症性疾病、过敏和心血管疾病，并作为制备用于治疗此类疾病的药物组合物的活性成分。