2-fluoro-N'-methyl-N-(5-methyl-2-phenyl-2H-pyrazol-3-yl)benzamidine | 380394-24-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 2-fluoro-N'-methyl-N-(5-methyl-2-phenyl-2H-pyrazol-3-yl)benzamidine
• 英文别名: 2-fluoro-N'-methyl-N-(5-methyl-2-phenylpyrazol-3-yl)benzenecarboximidamide
• CAS: 380394-24-1
• 化学式: C₁₈H₁₇FN₄
• 分子量: 308.358
• InChiKey: JMJHNRJKAOXTIO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  23
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  42.2
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-fluoro-N'-methyl-N-(5-methyl-2-phenyl-2H-pyrazol-3-yl)benzamidine 、 4-甲氧基苯甲醛 在 三甲基氯硅烷 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以79%的产率得到6-(2-fluorophenyl)-4-(4-methoxyphenyl)-3,5-dimethyl-1-phenyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidine
  参考文献：
  名称：

  Synthesis of Pyrazolo[3,4-d]-4,5-dihydropyrimidines through [5+1] Cyclocondensation

  摘要：

  Twenty-five diverse pyrazolo[3,4-d]-4,5-dihydropyrimidines were synthesized in 73-91% yield through TMS-promoted [5+1] heterocyclization of aldehydes with pyrazolylamidines.

  DOI：

  10.1055/s-0033-1340158
• 作为产物：
  描述：

  5-氨基-3-甲基-1-苯基吡唑 、 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 5.0h， 以58%的产率得到2-fluoro-N'-methyl-N-(5-methyl-2-phenyl-2H-pyrazol-3-yl)benzamidine
  参考文献：
  名称：

  Synthesis of Pyrazolo[3,4-d]-4,5-dihydropyrimidines through [5+1] Cyclocondensation

  摘要：

  Twenty-five diverse pyrazolo[3,4-d]-4,5-dihydropyrimidines were synthesized in 73-91% yield through TMS-promoted [5+1] heterocyclization of aldehydes with pyrazolylamidines.

  DOI：

  10.1055/s-0033-1340158

文献信息

• Methods and Compositions for the Treatment of RAS Associated Disorders
  申请人：Ratner Nancy

  公开号：US20120302581A1

  公开（公告）日：2012-11-29

  The instant disclosure relates to compositions that may be useful as therapeutic agents for the treatment of disorders associated or caused by Ras deregulation or dysregulation, for example, disorders associated with alterations in the NF1 gene such as neurofibromatosis type I, fungal infections such as those caused by Candida albicans , and proliferative disorders such as glioblastoma.