3,3-difluoro-5-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-1,3-dihydroindol-2-one | 1613639-41-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: 3,3-difluoro-5-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-1,3-dihydroindol-2-one
• 英文别名: 3,3-difluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indolin-2-one；3,3-Difluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indolin-2-one；3,3-difluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indol-2-one
• CAS: 1613639-41-0
• 化学式: C₁₄H₁₆BF₂NO₃
• 分子量: 295.094
• InChiKey: OLAPOTHCXUMWEO-UHFFFAOYSA-N

物化性质

• 沸点：
  389.2±42.0 °C(Predicted)
• 密度：
  1.26±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.03
• 重原子数：
  21
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  47.6
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  3,3-difluoro-5-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-1,3-dihydroindol-2-one 、 (R)-2-(5-bromo-pyridin-3-ylamino)-2-phenyl-ethanol 在 bis-triphenylphosphine-palladium(II) chloride 、 potassium carbonate 作用下， 以 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 1.0h， 以14 mg的产率得到3,3-difluoro-5-[5-((R)-2-hydroxy-1-phenylethylamino)pyridin-3-yl]-1,3-dihydroindol-2-one
  参考文献：
  名称：

  [EN] NOVEL BI-RING PHENYL-PYRIDINES/PYRAZINES FOR THE TREATMENT OF CANCER
  [FR] NOUVELLES PHÉNYLPYRIDINES/PYRAZINES À DEUX CYCLES POUR LE TRAITEMENT DU CANCER

  摘要：

  该发明提供了具有以下一般式的新化合物：其中R1、R2和R3如本文所述，包括该化合物的组合物以及使用该化合物的方法。

  公开号：

  WO2014090692A1
• 作为产物：
  描述：

  5-溴靛红 在 1,1'-双(二苯膦基)二茂铁二氯化钯(II)二氯甲烷复合物 、 二乙胺基三氟化硫 、 potassium acetate 作用下， 以 1,4-二氧六环 、 二氯甲烷 为溶剂， 反应 3.0h， 生成 3,3-difluoro-5-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-1,3-dihydroindol-2-one
  参考文献：
  名称：

  [EN] ANTIVIRAL HETEROCYCLIC COMPOUNDS
  [FR] COMPOSÉS HÉTÉROCYCLIQUES ANTIVIRAUX

  摘要：

  The present invention discloses compounds of Formula (I), or pharmaceutically acceptable salts, esters, or prodrugs thereof: Formula (I) which inhibit Human Respiratory Syncytial Virus (HRSV) or Human Metapneumo virus (HMPV) inhibitors. The present invention further relates to pharmaceutical compositions comprising the aforementioned compounds for administration to a subject suffering from HRSV or HMPV infection. The invention also relates to methods of treating an HRSV or HMPV infection in a subject by administering a pharmaceutical composition comprising the compounds of the present invention.

  公开号：

  WO2023200441A1

文献信息

• NOVEL BI-RING PHENYL-PYRIDINES/PYRAZINES FOR THE TREATMENT OF CANCER
  申请人：HOFFMANN-LA ROCHE INC.

  公开号：US20150266878A1

  公开（公告）日：2015-09-24

  The invention provides novel compounds having the general formula: wherein R 1 , R 2 and R 3 are as described herein, compositions including the compounds and methods of using the compounds.

  本发明提供了具有下列通式的新化合物：其中R1、R2和R3如本文所述，包括这些化合物的组合物和使用这些化合物的方法。
• Visible-Light-Promoted Tandem Difluoroalkylation–Amidation: Access to Difluorooxindoles from Free Anilines
  作者：Ling-Chao Yu、Ji-Wei Gu、Shu Zhang、Xingang Zhang

  DOI：10.1021/acs.joc.7b00111

  日期：2017.4.7

  An efficient and synthetically convenient method for the synthesis of 3,3-difluoro-2-oxindole through a visible-light-induced photoredox difluoromethylation-amidation is described. The process can generate a broad range of difluorooxindoles using bromodifluoroacetate and broadly available free anilines. The wide range of substrate tolerance and mild reaction conditions make this transformation a highly valuable method in applications for drug discovery and development.
• [EN] NOVEL BI-RING PHENYL-PYRIDINES/PYRAZINES FOR THE TREATMENT OF CANCER<br/>[FR] NOUVELLES PHÉNYLPYRIDINES/PYRAZINES À DEUX CYCLES POUR LE TRAITEMENT DU CANCER
  申请人：HOFFMANN LA ROCHE

  公开号：WO2014090692A1

  公开（公告）日：2014-06-19

  The invention provides novel compounds having the general formula: wherein R1, R2 and R3 are as described herein, compositions including the compounds and methods of using the compounds.

  该发明提供了具有以下一般式的新化合物：其中R1、R2和R3如本文所述，包括该化合物的组合物以及使用该化合物的方法。
• [EN] ANTIVIRAL HETEROCYCLIC COMPOUNDS<br/>[FR] COMPOSÉS HÉTÉROCYCLIQUES ANTIVIRAUX
  申请人：[en]ENANTA PHARMACEUTICALS, INC.

  公开号：WO2023200441A1

  公开（公告）日：2023-10-19

  The present invention discloses compounds of Formula (I), or pharmaceutically acceptable salts, esters, or prodrugs thereof: Formula (I) which inhibit Human Respiratory Syncytial Virus (HRSV) or Human Metapneumo virus (HMPV) inhibitors. The present invention further relates to pharmaceutical compositions comprising the aforementioned compounds for administration to a subject suffering from HRSV or HMPV infection. The invention also relates to methods of treating an HRSV or HMPV infection in a subject by administering a pharmaceutical composition comprising the compounds of the present invention.