4,6-dimethyl-2-n-butylpyrimidine | 68290-83-5

• 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: 4,6-dimethyl-2-n-butylpyrimidine
• 英文别名: 2-n-Butyl-4,6-dimethyl-pyrimidin；2-butyl-4,6-dimethyl-pyrimidine；2-Butyl-4,6-dimethylpyrimidine
• CAS: 68290-83-5
• 化学式: C₁₀H₁₆N₂
• mdl: MFCD11218663
• 分子量: 164.25
• InChiKey: UYCIONBYDMHAGU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  12
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  25.8
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  4,6-二甲基-2-羟基嘧啶 在 四(三苯基膦)钯 、 TEA 、 zinc dibromide 作用下， 以 二氯甲烷 为溶剂， 反应 13.0h， 生成 4,6-dimethyl-2-n-butylpyrimidine
  参考文献：
  名称：

  Synthesis of Pyrimidinyl Triflates and Palladium-catalyzed Coupling with Organotion and Organozic Reagents

  摘要：

  Pyrimidinyl triflates have been synthesized from pyrimidinones using triflic anhydride in the presence of triethylamine. The triflates, in the pyrimidine electrophilic positions, are versatile intermediates for substitution reactions. Carbon substituents are readily introduced in any position by Pd-catalyzed coupling reactions between pyrimidinyl triflates and aryl- or alkenyltin or with the corresponding organozinc reagents. Organozinc reagents are generally more reactive in coupling reaction and will effect the introduction of alkyl substituents.

  DOI：

  10.3987/com-93-s39

文献信息

• Synthesis of Pyrimidines via Base-induced Condensation of α-Chloro Oxime Derivatives
  作者：Takayuki Tsuritani、Hiroshi Shinokubo、Koichiro Oshima

  DOI：10.1246/cl.2004.122

  日期：2004.2

  A facile synthesis of 2,4,6-trisubstituted pyrimidines from the reaction of α-chloro oxime ethers with Grignard reagents has been developed. Alkyl and aryl groups can be easily introduced at the 2-...

  已经开发了由 α-氯肟醚与格氏试剂反应的 2,4,6-三取代嘧啶的简便合成方法。烷基和芳基可以很容易地在 2-...
• Enzyme modulators and treatments
  申请人：Flynn L. Daniel

  公开号：US20070078121A1

  公开（公告）日：2007-04-05

  Novel compounds and methods of using those compounds for the treatment of inflammatory conditions, immunological disorders, hyperproliferative diseases, cancer, and diseases characterized by hyper-vascularization are provided. In a preferred embodiment, modulation of the activation state of kinases, including p38 kinase protein, abl kinase protein, bcr-abl kinase protein, braf kinase protein, VEGFR kinase protein, or PDGFR kinase protein, comprises the step of contacting said kinase protein with the novel compounds.

  提供了新型化合物及其使用方法，用于治疗炎症性疾病、免疫性疾病、过度增生性疾病、癌症以及以高血管化为特征的疾病。在一种优选实施方式中，调节激酶的激活状态，包括p38激酶蛋白、abl激酶蛋白、bcr-abl激酶蛋白、braf激酶蛋白、VEGFR激酶蛋白或PDGFR激酶蛋白，包括将该激酶蛋白与新型化合物接触的步骤。
• ENZYME MODULATORS AND TREATMENTS
  申请人：Flynn L. Daniel

  公开号：US20080113967A1

  公开（公告）日：2008-05-15

  Novel compounds and methods of using those compounds for the treatment of inflammatory conditions, hyperproliferative diseases, cancer, and diseases characterized by hyper-vascularization are provided. In a preferred embodiment, modulation of the activation state of p38 kinase protein, abl kinase protein, ber-abl kinase protein, braf kinase protein, VEGFR kinase protein, or PDGFR kinase protein comprises the step of contacting said kinase protein with the novel compounds.

  本发明提供了新的化合物及其使用方法，用于治疗炎症状况、过度增殖性疾病、癌症和以高血管化为特征的疾病。在优选实施例中，调节p38激酶蛋白、abl激酶蛋白、ber-abl激酶蛋白、braf激酶蛋白、VEGFR激酶蛋白或PDGFR激酶蛋白的激活状态，包括将该激酶蛋白与新的化合物接触的步骤。
• US8163756B2
  申请人：——

  公开号：US8163756B2

  公开（公告）日：2012-04-24
• Synthesis of Pyrimidinyl Triflates and Palladium-catalyzed Coupling with Organotion and Organozic Reagents
  作者：Jessie Sandosham、Kjell Undheim

  DOI：10.3987/com-93-s39

  日期：——

  Pyrimidinyl triflates have been synthesized from pyrimidinones using triflic anhydride in the presence of triethylamine. The triflates, in the pyrimidine electrophilic positions, are versatile intermediates for substitution reactions. Carbon substituents are readily introduced in any position by Pd-catalyzed coupling reactions between pyrimidinyl triflates and aryl- or alkenyltin or with the corresponding organozinc reagents. Organozinc reagents are generally more reactive in coupling reaction and will effect the introduction of alkyl substituents.