3-苯基-1H-吡唑-4-醇 | 685135-76-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 中文名称: 3-苯基-1H-吡唑-4-醇
• 英文名称: 3-phenyl-4-hydroxypyrazole
• 英文别名: 5-phenyl-1H-pyrazol-4-ol
• CAS: 685135-76-6
• 化学式: C₉H₈N₂O
• mdl: MFCD18809390
• 分子量: 160.175
• InChiKey: IVKIIXBXZOMRJS-UHFFFAOYSA-N

物化性质

• 沸点：
  381.0±22.0 °C(Predicted)
• 密度：
  1.284±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  48.9
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  1-diazo-3-phenyl-2-propanone 、 甲基溴化镁 在 氯化铵 作用下， 以 四氢呋喃 为溶剂， 反应 12.5h， 以75%的产率得到3-苯基-1H-吡唑-4-醇
  参考文献：
  名称：

  Metalation of α-diazocarbonyl compounds using Grignard reagents. A convenient synthesis of α-diazo-β-ketoesters and mixed esters of α-diazomalonate

  摘要：

  alpha-Diazocarbonyl compounds react with methylmagnesium bromide at -78 degreesC generating the corresponding alpha-diazo-alpha-bromornagnesio species, which can be intercepted by various electrophilic reagents. For example, with alkyl chloroformates alpha-diazo-beta-ketoesters or mixed esters of alpha-diazomalonate are obtained in good yields. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2004.01.074

文献信息

• Phenoxypyrazole Composition and Process for the Solvent Extraction of Metals
  申请人：Cytec Technology Corp.

  公开号：US20130264519A1

  公开（公告）日：2013-10-10

  Metal extractants of 2-hydroxyphenyldiazole compounds according to Formula (2): and tautomers and salts thereof, are disclosed, wherein substituents R 5 , R 7 , R 9 , and R 10 are as defined herein.

  本发明公开了按照式（2）和其互变异构体和盐的定义的2-羟基苯基二唑化合物的金属萃取剂，其中取代基R5、R7、R9和R10的定义如本文所述。
• HYDROXYPHENYL-PYRAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM
  申请人：Pharmacia Italia S.p.A.

  公开号：EP1458379A1

  公开（公告）日：2004-09-22
• Hydroxphenyl-pyrazole derivatives active as kinase inhibitors, process for their preparation and pharmaceutical comositions comprising them
  申请人：PHARMACIA & UPJOHN SPA

  公开号：US20040010027A1

  公开（公告）日：2004-01-15

  The present invention provides a method for treating diseases caused by and/or associated with an altered protein kinase activity which comprises administering to a mammal in need thereof an effective amount of a hydroxyphenyl-pyrazole derivative represented by formula (I): 1 wherein R 1 to R 4 independently represent hydrogen or halogen atom or a group selected from hydroxy, NO 2 , C 1 -C 6 alkyl optionally substituted with halogen atom, aryl optionally substituted with halogen atom, aryl C 1 -C 6 alkyl, C 3 -C 7 cycloalkyl, saturated or unsaturated heterocyclyl, C 1 -C 6 alkoxy, aryloxy, aryl C 1 -C 6 alkoxy or NR 8 R 9 , wherein R 8 and R 9 independently represent hydrogen, C 1 -C 6 alkyl, aryl, or a residue of formula COR 10 , CONHR 10 or SO 2 R 10 in which R 10 is hydrogen atom or C 1 -C 6 alkyl, aryl, aryl C 1 -C 6 alkyl, C 3 -C 7 cycloalkyl or saturated or unsaturated heterocyclyl group; R 7 is a group of formula CONHR 1 , CSNHR 10 , SO 2 R 10 , COR 10 or COOR 10 , in which R 10 is as defined above, and R 5 and R 6 independently represent hydrogen or a group selected from optionally substituted C 1 -C 6 alkyl, optionally substituted aryl, aryl C 1 -C 6 alkyl, C 3 -C 7 cycloalkyl and saturated or unsaturated heterocyclyl; and pharmaceutically acceptable salts thereof. The invention also provides compounds of formula I, a library comprising at least two of them, a process for their preparation and the pharmaceutical compositions containing them, which are useful in the treatment of diseases caused by and/or associated with an altered protein kinase activity such as cancer, cell proliferative disorders, viral infections, autoimmune diseases and neurodegenerative disorders.
• [EN] HYDROXYPHENYL-PYRAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM<br/>[FR] DERIVES D'HYDROXYPHENYL-PYRAZOLE SERVANT D'INHIBITEURS DE KINASE, PROCEDE POUR LES PREPARER ET COMPOSITIONS PHARMACEUTIQUES LES RENFERMANT
  申请人：PHARMACIA ITALIA SPA

  公开号：WO2003051358A1

  公开（公告）日：2003-06-26

  The present invention provides a method for treating diseases caused by and/or associated with an altered protein kinase activity which comprises administering to a mammal in need thereof and effective amount of o-hydroxy phenyl-pyrazol-3-yl derivatives optionally substituted of formula (I). The invention also provides some new compounds, a library comprising at least two of them, a process for their preparation and the pharmaceutical compositions containing them, which are useful in the treatment of diseases caused by and/or associated with an altered protein kinase activity such as cancer, cell proliferative disorders, viral infections, autoimmune diseases and neurodegenerative disorders.