trifluoromethanesulfonic acid 2,5-dimethyl-2H-pyrazol-3-yl ester | 852603-35-1

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机磺酸及其衍生物
• 英文名称: trifluoromethanesulfonic acid 2,5-dimethyl-2H-pyrazol-3-yl ester
• 英文别名: (2,5-Dimethylpyrazol-3-yl) trifluoromethanesulfonate
• CAS: 852603-35-1
• 化学式: C₆H₇F₃N₂O₃S
• 分子量: 244.194
• InChiKey: WCASEZPAWSRVRK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  69.6
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  trifluoromethanesulfonic acid 2,5-dimethyl-2H-pyrazol-3-yl ester 、 苯硼酸 在 (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride 1,1'-双(二苯基膦)二茂铁 、 potassium phosphate 作用下， 以 1,4-二氧六环 为溶剂， 反应 16.0h， 以83%的产率得到1,3-dimethyl-5-phenyl-1H-pyrazole
  参考文献：
  名称：

  Palladium-Catalyzed Coupling of Pyrazole Triflates with Arylboronic Acids

  摘要：

  A general protocol for the palladium-mediated Suzuki coupling reaction of pyrazole triflates and aryl boronic acids has been developed. The use of additional dppf ligand was determined to increase product yields allowing for the use of a broad range of reaction substrates.

  DOI：

  10.1021/jo0477897
• 作为产物：
  描述：

  1,3-二甲基吡唑-5-酮 、 N-苯基双(三氟甲烷磺酰)亚胺 在 N,N-二异丙基乙胺 作用下， 以 二氯甲烷 为溶剂， 以62%的产率得到trifluoromethanesulfonic acid 2,5-dimethyl-2H-pyrazol-3-yl ester
  参考文献：
  名称：

  Palladium-Catalyzed Coupling of Pyrazole Triflates with Arylboronic Acids

  摘要：

  A general protocol for the palladium-mediated Suzuki coupling reaction of pyrazole triflates and aryl boronic acids has been developed. The use of additional dppf ligand was determined to increase product yields allowing for the use of a broad range of reaction substrates.

  DOI：

  10.1021/jo0477897

文献信息

• 4-Methylsulfonyl-Substituted Piperidine Urea Compounds
  申请人：MyoKardia, Inc.

  公开号：US20160243100A1

  公开（公告）日：2016-08-25

  The present invention provides novel 4-methylsulphone-substituted piperidine urea compounds that are useful for the treatment of dilated cardiomyopathy (DCM) and conditions associated with left and/or right ventricular systolic dysfunction or systolic reserve. The synthesis and characterization of the compounds is described, as well as methods for treating DCM and other forms of heart disease.

  本发明提供了一种新颖的4-甲基砜取代哌啶脲化合物，可用于治疗扩张型心肌病（DCM）以及与左心室和/或右心室收缩功能障碍或收缩储备相关的疾病。描述了这些化合物的合成和表征，以及治疗DCM和其他形式心脏疾病的方法。
• 4-methylsulfonyl-substituted piperidine urea compounds
  申请人：MyoKardia, Inc.

  公开号：US10758525B2

  公开（公告）日：2020-09-01

  The present invention provides novel 4-methylsulphone-substituted piperidine urea compounds that are useful for the treatment of dilated cardiomyopathy (DCM) and conditions associated with left and/or right ventricular systolic dysfunction or systolic reserve. The synthesis and characterization of the compounds is described, as well as methods for treating DCM and other forms of heart disease.

  本发明提供了新型 4-甲基磺酰基取代的哌啶脲化合物，可用于治疗扩张型心肌病（DCM）以及与左室和/或右室收缩功能障碍或收缩储备相关的疾病。本文介绍了这些化合物的合成和表征，以及治疗扩张型心肌病和其他形式心脏病的方法。
• 4-METHYLSULFONYL-SUBSTITUTED PIPERIDINE UREA COMPOUNDS
  申请人：MyoKardia, Inc.

  公开号：US20190269669A1

  公开（公告）日：2019-09-05

  The present invention provides novel 4-methylsulphone-substituted piperidine urea compounds that are useful for the treatment of dilated cardiomyopathy (DCM) and conditions associated with left and/or right ventricular systolic dysfunction or systolic reserve. The synthesis and characterization of the compounds is described, as well as methods for treating DCM and other forms of heart disease.
• US9925177B2
  申请人：——

  公开号：US9925177B2

  公开（公告）日：2018-03-27
• [EN] 4-METHYLSULFONYL-SUBSTITUTED PIPERIDINE UREA COMPOUNDS FOR THE TREATMENT OF DILATED CARDIOMYOPATHY (DCM)<br/>[FR] COMPOSÉS PIPÉRIDINE/URÉE SUBSTITUÉS PAR UN GROUPEMENT 4-MÉTHYLSULFONYLE, DESTINÉS AU TRAITEMENT DE LA CARDIOMYOPATHIE DILATÉE (CMD)
  申请人：MYOKARDIA INC

  公开号：WO2016118774A1

  公开（公告）日：2016-07-28

  The present invention provides novel 4-methylsulphone-substituted piperidine urea compounds that are useful for the treatment of dilated cardiomyopathy (DCM) and conditions associated with left and/or right ventricular systolic dysfunction or systolic reserve. The synthesis and characterization of the compounds is described, as well as methods for treating DCM and other forms of heart disease.