5-(4-(tert-butyl)phenyl)-2-methylpyrimidine | 1160718-12-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 5-(4-(tert-butyl)phenyl)-2-methylpyrimidine
• 英文别名: 5-(4-Tert-butylphenyl)-2-methylpyrimidine
• CAS: 1160718-12-6
• 化学式: C₁₅H₁₈N₂
• 分子量: 226.321
• InChiKey: BHUBYXBAPDWWNF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  25.8
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  5-(4-(tert-butyl)phenyl)-2-methylpyrimidine 在 nitronium tetrafluoborate 作用下， 以 乙腈 为溶剂， 生成
  参考文献：
  名称：

  Discovery and characterization of the N-phenyl-N′-naphthylurea class of p38 kinase inhibitors

  摘要：

  An effort aimed at exploring structural diversity in the N-pyrazole-N'-naphthylurea class of p38 kinase inhibitors led to the synthesis and characterization of N-phenyl-N'-naphthylureas. Examples of these compounds displayed excellent inhibition of TNF-alpha production in vitro, as well as efficacy in a mouse model of lipopolysaccharide induced endotoxemia. In addition, perspective is provided on the role of a sulfonamide functionality in defining inhibitor potency.

  DOI：

  10.1016/j.bmcl.2009.03.104
• 作为产物：
  描述：

  、 盐酸乙脒 在 sodium ethanolate 作用下， 以 乙醇 为溶剂， 生成 5-(4-(tert-butyl)phenyl)-2-methylpyrimidine
  参考文献：
  名称：

  Discovery and characterization of the N-phenyl-N′-naphthylurea class of p38 kinase inhibitors

  摘要：

  An effort aimed at exploring structural diversity in the N-pyrazole-N'-naphthylurea class of p38 kinase inhibitors led to the synthesis and characterization of N-phenyl-N'-naphthylureas. Examples of these compounds displayed excellent inhibition of TNF-alpha production in vitro, as well as efficacy in a mouse model of lipopolysaccharide induced endotoxemia. In addition, perspective is provided on the role of a sulfonamide functionality in defining inhibitor potency.

  DOI：

  10.1016/j.bmcl.2009.03.104

文献信息

• OXAZOLIDINONE COMPOUNDS AND DERIVATIVES THEREOF
  申请人：AMGEN INC.

  公开号：US20150045368A1

  公开（公告）日：2015-02-12

  Compounds of Formula (I) and Formula (II) are useful inhibitors of tankyrase. Compounds of Formula (I) and Formula (II) have the following structure: where the definitions of the variables are provided herein.

  式(I)和式(II)的化合物是坦克酰酶的有用抑制剂。式(I)和式(II)的化合物具有以下结构：其中变量的定义在此提供。
• Cross-Coupling Reactions of 5-Bromo-1,2,3-triazine
  作者：Lukas V. Hoff、Joana M. Hauser、Karl Gademann

  DOI：10.1021/acs.joc.2c02082

  日期：2022.11.18

  An efficient Pd catalyzed cross-coupling method for 5-bromo-1,2,3-triazine is described. Optimization of the reaction conditions allowed for the preparation of a representative scope of (hetero)aryl-1,2,3-triazines (20 examples, up to 97% yield). The reaction scope was evaluated using a data science enabled boronic acid chemical space to assess the generality of the method. Additionally, diversification

  描述了 5-溴-1,2,3-三嗪的有效 Pd 催化交叉偶联方法。反应条件的优化允许制备具有代表性的（杂）芳基-1,2,3-三嗪（20 个实例，产率高达 97%）。使用支持硼酸化学空间的数据科学评估反应范围，以评估该方法的普遍性。此外，所得产品的多样化使得嘧啶和吡啶的制备收率高达 80%，并且只需两步即可完成。
• US7947684B2
  申请人：——

  公开号：US7947684B2

  公开（公告）日：2011-05-24
• US9340549B2
  申请人：——

  公开号：US9340549B2

  公开（公告）日：2016-05-17