4-Bromo-N-[(dimethylamino)methylene]-2-fluoro-5-methylbenzamide | 1228013-99-7

• 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: 4-Bromo-N-[(dimethylamino)methylene]-2-fluoro-5-methylbenzamide
• 英文别名: 4-bromo-N-(dimethylaminomethylidene)-2-fluoro-5-methylbenzamide
• CAS: 1228013-99-7
• 化学式: C₁₁H₁₂BrFN₂O
• 分子量: 287.13
• InChiKey: QQIMLHFOAXATBR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  32.7
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4-Bromo-N-[(dimethylamino)methylene]-2-fluoro-5-methylbenzamide 、 一水合肼 在 水 作用下， 以 溶剂黄146 为溶剂， 反应 16.0h， 以to give the title compound (15 g, 68% yield) as a white solid的产率得到3-(4-bromo-2-fluoro-5-methylphenyl)-1H-1,2,4-triazole
  参考文献：
  名称：

  METHODS OF SYNTHESIS AND PURIFICATION OF HETEROARYL COMPOUNDS

  摘要：

  本文提供了制备具有以下结构的杂环芳基化合物的方法：其中R1-R4如本文所定义。这些杂环芳基化合物可用于治疗或预防癌症、炎症疾病、免疫疾病、神经退行性疾病、糖尿病、肥胖症、神经系统疾病、年龄相关疾病或心血管疾病。

  公开号：

  US20130245254A1
• 作为产物：
  描述：

  4-bromo-2-fluoro-5-methylbenzamide 、 N,N-二甲基甲酰胺二甲基缩醛 在 氮气 作用下， 反应 3.0h， 以to give the desired product (24.6 g, 95% yield) as a yellow oil, which的产率得到4-Bromo-N-[(dimethylamino)methylene]-2-fluoro-5-methylbenzamide
  参考文献：
  名称：

  METHODS OF SYNTHESIS AND PURIFICATION OF HETEROARYL COMPOUNDS

  摘要：

  本文提供了制备具有以下结构的杂环芳基化合物的方法：其中R1-R4如本文所定义。这些杂环芳基化合物可用于治疗或预防癌症、炎症疾病、免疫疾病、神经退行性疾病、糖尿病、肥胖症、神经系统疾病、年龄相关疾病或心血管疾病。

  公开号：

  US20130245254A1

文献信息

• Methods of synthesis and purification of heteroaryl compounds
  申请人：Harris Roy L.

  公开号：US08569494B2

  公开（公告）日：2013-10-29

  Provided herein are methods to prepare Heteroaryl Compounds having the following structure: wherein R1-R4 are as defined herein. The Heteroaryl compounds are useful for treating or preventing cancer, inflammatory conditions, immunological conditions, neurodegenerative diseases, diabetes, obesity, neurological disorders, age-related diseases, or cardiovascular conditions.

  本文提供了制备具有以下结构的杂环芳基化合物的方法：其中R1-R4如本文所定义。这些杂环芳基化合物可用于治疗或预防癌症、炎症性疾病、免疫性疾病、神经退行性疾病、糖尿病、肥胖症、神经系统疾病、与年龄相关的疾病或心血管疾病。
• METHODS OF SYNTHESIS AND PURIFICATION OF HETEROARYL COMPOUNDS
  申请人：SIGNAL PHARMACEUTICALS, LLC

  公开号：US20140155593A1

  公开（公告）日：2014-06-05

  Provided herein are methods to prepare Heteroaryl Compounds having the following structure: wherein R 1 -R 4 are as defined herein. The Heteroaryl compounds are useful for treating or preventing cancer, inflammatory conditions, immunological conditions, neurodegenerative diseases, diabetes, obesity, neurological disorders, age-related diseases, or cardiovascular conditions.

  本文提供了制备具有以下结构的杂环芳基化合物的方法：其中R1-R4如本文所定义。这些杂环芳基化合物可用于治疗或预防癌症、炎症性疾病、免疫疾病、神经退行性疾病、糖尿病、肥胖症、神经系统疾病、与年龄相关的疾病或心血管疾病。
• Pyrazino[2,3-b]pyrazine mTOR kinase inhibitor for oncology indications and diseases associated with the mTOR/PI3K/AKT pathway
  申请人：Perrin-Ninkovic Sophie

  公开号：US08507492B2

  公开（公告）日：2013-08-13

  Provided herein are Heteroaryl Compounds having the following structure: wherein R1-R4 are as defined herein, compositions comprising an effective amount of a Heteroaryl Compound and methods for treating or preventing cancer, inflammatory conditions, immunological conditions, neurodegenerative diseases, diabetes, obesity, neurological disorders, age-related diseases, or cardiovascular conditions, comprising administering an effective amount of a Heteroaryl Compound to a patient in need thereof.

  本文提供了具有以下结构的杂环芳基化合物：其中R1-R4的定义如本文所述，包含有效量的杂环芳基化合物的组合物以及治疗或预防癌症、炎症性疾病、免疫疾病、神经退行性疾病、糖尿病、肥胖症、神经系统疾病、与年龄相关的疾病或心血管疾病的方法，包括向需要治疗的患者中投与有效量的杂环芳基化合物。
• Substituted pyrazino[2,3-b]pyrazines as mTOR kinase inhibitors
  申请人：Signal Pharmaceuticals, LLC

  公开号：US08907087B2

  公开（公告）日：2014-12-09

  Provided herein are Heteroaryl Compounds having the following structure: wherein R1-R4 are as defined herein, compositions comprising an effective amount of a Heteroaryl Compound and methods for treating or preventing cancer, inflammatory conditions, immunological conditions, neurodegenerative diseases, diabetes, obesity, neurological disorders, age-related diseases, or cardiovascular conditions, comprising administering an effective amount of a Heteroaryl Compound to a patient in need thereof. Furthermore, provided are methods of preparing a compound of formula (III), Furthermore, provided are methods of preparing a compound of formula (VI),

  本文提供具有以下结构的杂环芳基化合物： 其中R1-R4如本文所定义，包括有效量的杂环芳基化合物的组合物以及治疗或预防癌症，炎症疾病，免疫疾病，神经退行性疾病，糖尿病，肥胖症，神经系统疾病，与年龄相关的疾病或心血管疾病的方法，包括向需要该化合物的患者施用有效量的杂环芳基化合物。 此外，还提供了制备式（III）化合物的方法，还提供了制备式（VI）化合物的方法。
• Halogen substituted pyrazines as intermediates of mTOR kinase inhibitors
  申请人：SIGNAL PHARMACEUTICALS, LLC

  公开号：US09193692B2

  公开（公告）日：2015-11-24

  Provided herein are Heteroaryl Compounds having the following structure: wherein R1-R4 are as defined herein, compositions comprising an effective amount of a Heteroaryl Compound and methods for treating or preventing cancer, inflammatory conditions, immunological conditions, neurodegenerative diseases, diabetes, obesity, neurological disorders, age-related diseases, or cardiovascular conditions, comprising administering an effective amount of a Heteroaryl Compound to a patient in need thereof. Furthermore, provided herein are compounds having the following formulas (IV), (V), (VII) and (VIII): wherein R, R2, R3, R4, Hal and Hal2 are as defined herein, for preparation of the Heteroaryl Compounds.

  本文提供具有以下结构的杂环芳基化合物：其中R1-R4如本文所定义，包含有效量的杂环芳基化合物的组合物以及治疗或预防癌症、炎症病症、免疫病症、神经退行性疾病、糖尿病、肥胖症、神经系统疾病、老年病症或心血管病症的方法，包括向需要治疗的患者注射有效量的杂环芳基化合物。此外，本文提供以下公式（IV）、（V）、（VII）和（VIII）的化合物：其中R，R2，R3，R4，Hal和Hal2如本文所定义，用于制备杂环芳基化合物。