2,2,2-trifluoro-N-(5-methylpyridin-2-yl)acetamide | 904565-62-4

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 2,2,2-trifluoro-N-(5-methylpyridin-2-yl)acetamide
• 英文别名: 2,2,2-trifluoro-N-(5-methyl-pyridin-2-yl)-acetamide
• CAS: 904565-62-4
• 化学式: C₈H₇F₃N₂O
• mdl: MFCD01352665
• 分子量: 204.152
• InChiKey: IZSAWKBXSCFVAT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  42
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2,2,2-trifluoro-N-(5-methylpyridin-2-yl)acetamide 在 N-溴代丁二酰亚胺(NBS) 、 偶氮二异丁腈 、 氨 、 caesium carbonate 、 三乙胺 作用下， 以 甲醇 、 四氯化碳 、 N,N-二甲基甲酰胺 为溶剂， 反应 66.25h， 生成 tert-butyl (R)-4-((6-(4-(5-chloro-3-isopropyl-1-((2-(trimethylsilyl)ethoxy)methyl)-1H-pyrazol-4-yl)pyrimidin-2-ylamino)pyridin-3-yl)methyl)-2-methylpiperazine-1-carboxylate
  参考文献：
  名称：

  4-(Pyrazol-4-yl)-pyrimidines as Selective Inhibitors of Cyclin-Dependent Kinase 4/6

  摘要：

  Identification and structure-guided optimization of a series of 4-(pyrazol-4-yl)-pyrimidines as selective CDK 4/6 inhibitors is reported herein. Several potency and selectivity determinants were established based on the X-ray crystallographic analysis of representative compounds bound to monomeric CDK 6. Significant selectivity for CDK4/6 over CDK 1 and CDK2 was demonstrated with several compounds in both enzymatic and cellular assays.

  DOI：

  10.1021/jm100571n
• 作为产物：
  描述：

  2-氨基-5-甲基吡啶 、 三氟乙酸酐 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 24.0h， 生成 2,2,2-trifluoro-N-(5-methylpyridin-2-yl)acetamide
  参考文献：
  名称：

  2-氨基吡啶衍生物与芳烃的化学选择性N-芳基化反应

  摘要：

  已经描述了2-氨基吡啶衍生物与芳烃的化学选择性N-芳基化反应，具有良好至优异的产率。N-芳基化产物可进一步用于容易构建的苯并异喹核苷和异喹核苷以及吡啶并[1,2- a ]苯并咪唑。

  DOI：

  10.1021/acs.joc.7b01405

文献信息

• DISPERSION OF WATER-INSOLUBLE COLORANT, METHOD OF PRODUCING SUBSTANCE CONTAINING WATER-INSOLUBLE COLORANT, FINE PARTICLES OF WATER-INSOLUBLE COLORANT, DISPERSING AGENT FOR WATER-INSOLUBLE COLORANT, AND RECORDING LIQUID, INK SET, PRINTED ARTICLE, METHOD OF FORMING IMAGE AND IMAGE FORMING APPARATUS USING THE SAME
  申请人：SANO Satoshi

  公开号：US20090246481A1

  公开（公告）日：2009-10-01

  A dispersion of a water-insoluble colorant containing: a medium containing water; fine particles of the water-insoluble colorant; and a polymer compound or a surfactant that includes at least one kind of electron-withdrawing group or group of atoms represented by any one of formulae (I) to (IV) as its hydrophilic part: wherein at least one of X 1 and X 2 represents an electron-withdrawing linking group on the condition that when at least one of X 1 and X 2 is not the linking group, the at least one of X 1 and X 2 represents an electron-withdrawing substituent; R 1 represents a hydrogen atom or a substituent; and M represents a hydrogen atom or a metal atom.

  一种水不溶性着色剂的分散体，包括：含水介质；水不溶性着色剂的细小颗粒；以及聚合物化合物或表面活性剂，其包含至少一种电子吸引基团或由式（I）至（IV）中的任何一种原子团表示的原子团作为其亲水部分：其中X1和X2中至少一个表示电子吸引连接基团，条件是当X1和X2中至少一个不是连接基团时，X1和X2中的至少一个表示电子吸引取代基；R1表示氢原子或取代基；M表示氢原子或金属原子。
• Dispersion of water-insoluble colorant, method of producing substance containing water-insoluble colorant, fine particles of water-insoluble colorant, dispersing agent for water-insoluble colorant, and recording liquid, ink set, printed article, method of forming image and image forming apparatus using the same
  申请人：Fujifilm Corporation

  公开号：EP2110416A2

  公开（公告）日：2009-10-21

  A dispersion of a water-insoluble colorant containing: a medium containing water; fine particles of the water-insoluble colorant; and a polymer compound or a surfactant that includes at least one kind of electron-withdrawing group or group of atoms represented by any one of formulae (I) to (IV) as its hydrophilic part: wherein at least one of X1 and X2 represents an electron-withdrawing linking group on the condition that when at least one of X1 and X2 is not the linking group, the at least one of X1 and X2 represents an electron-withdrawing substituent; R1 represents a hydrogen atom or a substituent; and M represents a hydrogen atom or a metal atom.

  一种水不溶性着色剂的分散液，其中包含：含水介质；水不溶性着色剂的细颗粒；以及聚合物化合物或表面活性剂，其亲水部分包括至少一种由式（I）至（IV）中任一项所代表的抽电子基团或原子团： 其中 X1 和 X2 中至少有一个代表抽电子连接基团，条件是当 X1 和 X2 中至少有一个不是连接基团时，X1 和 X2 中至少有一个代表抽电子取代基；R1 代表氢原子或取代基；M 代表氢原子或金属原子。
• 4-(Pyrazol-4-yl)-pyrimidines as Selective Inhibitors of Cyclin-Dependent Kinase 4/6
  作者：Young Shin Cho、Maria Borland、Christopher Brain、Christine H.-T. Chen、Hong Cheng、Rajiv Chopra、Kristy Chung、James Groarke、Guo He、Ying Hou、Sunkyu Kim、Steven Kovats、Yipin Lu、Marc O’Reilly、Junqing Shen、Troy Smith、Gary Trakshel、Markus Vögtle、Mei Xu、Ming Xu、Moo Je Sung

  DOI：10.1021/jm100571n

  日期：2010.11.25

  Identification and structure-guided optimization of a series of 4-(pyrazol-4-yl)-pyrimidines as selective CDK 4/6 inhibitors is reported herein. Several potency and selectivity determinants were established based on the X-ray crystallographic analysis of representative compounds bound to monomeric CDK 6. Significant selectivity for CDK4/6 over CDK 1 and CDK2 was demonstrated with several compounds in both enzymatic and cellular assays.
• A Chemoselective N-Arylation Reaction of 2-Aminopyridine Derivatives with Arynes
  作者：Bin Cheng、Jian Wei、Bing Zu、Jianfei Zhao、Taimin Wang、Xiaoguang Duan、Renqi Wang、Yun Li、Hongbin Zhai

  DOI：10.1021/acs.joc.7b01405

  日期：2017.9.15

  A chemoselective N-arylation reaction of 2-aminopyridine derivatives with arynes in good to excellent yields has been described. The N-arylation products could be further applied to the facile construction of benzoisoquinuclidines and isoquinuclidines as well as pyrido[1,2-a]benzimidazoles.

  已经描述了2-氨基吡啶衍生物与芳烃的化学选择性N-芳基化反应，具有良好至优异的产率。N-芳基化产物可进一步用于容易构建的苯并异喹核苷和异喹核苷以及吡啶并[1,2- a ]苯并咪唑。