2-bromo-1-(4-(methylsulfonyl)phenyl)-propan-1-one | 59209-37-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-bromo-1-(4-(methylsulfonyl)phenyl)-propan-1-one
• 英文别名: 2-Bromo-(4-(methylsulfonyl)phenyl)propan-1-one；2-bromo-1-(4-(methylsulfonyl)phenyl)propan-1-one；2-Bromo--(4-(methylsulfonyl)phenyl)propan-1-one；2-bromo-1-(4-methylsulfonylphenyl)-propan-1-one；2-Bromo-1-[4-(methanesulfonyl)phenyl]propan-1-one；2-bromo-1-(4-methylsulfonylphenyl)propan-1-one
• CAS: 59209-37-9
• 化学式: C₁₀H₁₁BrO₃S
• 分子量: 291.166
• InChiKey: DCBXZIWICBQPDL-UHFFFAOYSA-N

物化性质

• 沸点：
  427.7±41.0 °C(Predicted)
• 密度：
  1.510±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  59.6
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-bromo-1-(4-(methylsulfonyl)phenyl)-propan-1-one 在 air 、 1,8-二氮杂双环[5.4.0]十一碳-7-烯 、 三乙胺 作用下， 以 乙腈 为溶剂， 生成 5-hydroxy-5-methyl-4-(4-(methylsulfonyl)phenyl)-3-phenyl-2-(5H)-furanone
  参考文献：
  名称：

  3,4-Diaryl-5-hydroxyfuranones: highly selective inhibitors of cyclooxygenase-2 with aqueous solubility

  摘要：

  The introduction of a hydroxyl group into the 5-position of the diaryl furanone system provides highly selective inhibitors of cyclooxygenase-2. These molecules can be converted into their sodium salts which are water soluble, facilitating intravenous formulation. These salts show excellent potency in rat models of pain, fever and inflammation. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(03)00046-5
• 作为产物：
  描述：

  1-[4-(甲基磺酰基)苯基]-1-丙酮 在 溴 作用下， 以 乙醚 为溶剂， 生成 2-bromo-1-(4-(methylsulfonyl)phenyl)-propan-1-one
  参考文献：
  名称：

  Acid-mediated Cyclization of 3-Benzoyl-2-cyanobutyronitrile to 2-Amino-4-methyl-5-phenylfuran-3-carbonitrile

  摘要：

  Cyclization of 3-benzoyl-2-cyanobutyronitrile to 2-amino-4-methyl-5-phenylfuran-3-carbonitrile was effected under acidic conditions, rather than the basic conditions previously reported. Since treatment with trifluoroacetic acid (TFA) at room temperature is very mild, 2-amino-4-methyl-5-phenylfuran-3-carbonitriles containing various functional groups can be accessed via this route.

  DOI：

  10.3987/com-03-s(p)13

文献信息

• 3,4-diaryl-2-hydroxy-2,5-dihydrofurans as prodrugs to COX-2 inhibitors
  申请人：Merck Frosst Canada, Inc.

  公开号：US05698584A1

  公开（公告）日：1997-12-16

  The invention encompasses the novel compound of Formula I useful in the treatment of cyclooxygenase-2 mediated diseases. ##STR1## The invention also encompasses certain pharmaceutical compositions for treatment of cyclooxygenase-2 mediated diseases comprising compounds of Formula I.

  这项发明涵盖了化合物I的新颖结构，可用于治疗环氧合酶-2介导的疾病。该发明还涵盖了用于治疗环氧合酶-2介导疾病的某些药物组合物，其中包括化合物I。
• (Methylsulfonyl)phenyl-2-(5H)-furanones as COX-2 inhibitors
  申请人：Merck Frosst Canada, Inc.

  公开号：US06020343A1

  公开（公告）日：2000-02-01

  The invention encompasses the novel compound of Formula I useful in the treatment of cyclooxygenase-2 mediated diseases. ##STR1## The invention also encompasses certain pharmaceutical compositions for treatment of cyclooxygenase-2 mediated diseases comprising compounds of Formula I.

  这项发明涵盖了用于治疗环氧合酶-2介导疾病的新型化合物I的公式。该发明还涵盖了用于治疗环氧合酶-2介导疾病的某些药物组合物，包括化合物I的公式。
• Alkylated styrenes as prodrugs to COX-2 inhibitors
  申请人：Merck Frosst Canada, Inc.

  公开号：US05789413A1

  公开（公告）日：1998-08-04

  The invention encompasses the novel compound of Formula I useful in the treatment of cyclooxygenase-2 mediated diseases. ##STR1## The invention also encompasses certain pharmaceutical compositions for treatment of cyclooxygenase-2 mediated diseases comprising compounds of Formula I.

  该发明涵盖了一种在治疗环氧合酶-2介导疾病中有用的新型化合物，化学式为I。 该发明还涵盖了用于治疗环氧合酶-2介导疾病的某些药物组合物，其中包括化合物I的配方。
• Diaryl-5-oxygenated-2-(5H) -furanones as COX-2 inhibitors
  申请人：Merck Frosst Canada Inc.

  公开号：US05691374A1

  公开（公告）日：1997-11-25

  The invention encompasses the novel compound of Formula I as well as a method of treating cyclooxygenase-2 mediated diseases comprising administration to a patient in need of such treatment of a non-toxic therapeutically effective amount of a compound of Formula I. ##STR1## The invention also encompasses certain pharmaceutical compositions for treatment of cyclooxygenase-2 mediated diseases comprising compounds of Formula I.

  本发明涵盖了一种新的I式化合物，以及一种治疗环氧合酶2介导疾病的方法，该方法包括向需要此类治疗的患者施用I式化合物的非毒性治疗有效量。 ##STR1## 本发明还涵盖了某些药物组合物，用于治疗环氧合酶2介导的疾病，其中包括I式化合物。
• [EN] DIARYL-5-OXYGENATED-2-(5H)-FURANONES AS COX-2 INHIBITORS<br/>[FR] DIARYL-5-OXYGENE-2-(5H)-FURANONES UTILES COMME INHIBITEURS DE COX-2
  申请人：MERCK FROSST CANADA INC.

  公开号：WO1996036623A1

  公开（公告）日：1996-11-21

  (EN) The invention encompasses the novel compound of Formula (I) as well as a method of treating cyclooxygenase-2 mediated diseases comprising administration to a patient in need of such treatment of a non-toxic therapeutically effective amount of a compound of Formula (I). The invention also encompasses certain pharmaceutical compositions for treatment of cyclooxygenase-2 mediated diseases comprising compounds of Formula (I).(FR) L'invention concerne le nouveau composé de formule (I) ainsi qu'un procédé de traitement de maladies induites par cyclooxygénase-2, consistant à administrer à un patient ayant besoin d'un tel traitement une quantité non toxique, thérapeutiquement efficace d'un composé de formule (I). L'invention concerne également certaines compositions pharmaceutiques permettant de traiter les maladies induites par cyclooxygénase-2, ces compositions comprenant des composés de la formule (I).

  该发明涵盖了化合物I的新颖化合物，以及治疗环氧合酶-2介导的疾病的方法，包括向需要此类治疗的患者施用化合物I的非毒性治疗有效量。该发明还涵盖了用于治疗环氧合酶-2介导的疾病的某些药物组合物，其中包括化合物I。