N'-hydroxy-4-(2-methylpropyl)-2-phenylpyrimidine-5-carboximidamide | 1235478-05-3

• 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: N'-hydroxy-4-(2-methylpropyl)-2-phenylpyrimidine-5-carboximidamide
• CAS: 1235478-05-3
• 化学式: C₁₅H₁₈N₄O
• 分子量: 270.334
• InChiKey: BACJKOKVYMLGOT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  20
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  84.4
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  N'-hydroxy-4-(2-methylpropyl)-2-phenylpyrimidine-5-carboximidamide 在 palladium 10% on activated carbon 、 potassium formate 、 乙酸酐 、 溶剂黄146 作用下， 生成 Acetic acid;4-(2-methylpropyl)-2-phenylpyrimidine-5-carboximidamide
  参考文献：
  名称：

  Facile Iterative Synthesis of 2,5-Terpyrimidinylenes as Nonpeptidic α-Helical Mimics

  摘要：

  A facile iterative synthesis of 2,5-terpyrimidinylenes that are structurally analogous to alpha-helix mimics is presented. Condensation of amidines with readily prepared alpha,beta-unsaturated alpha-cyanoketones gives 5-cyano-substituted pyrimidines. Iterative transformation of the 5-cyano group into an amidine allows synthesis of 2,5-terpyrimidinylenes with variable groups at the 4-, 4'-, and 4 ''-positions. These compounds are designed to mimic the i, i + 4, and i + 7 sites of an alpha-helix.

  DOI：

  10.1021/jo100272d
• 作为产物：
  描述：

  4-isobutyl-2-phenylpyrimidine-5-carbonitrile 在 盐酸羟胺 、 三乙胺 作用下， 以 甲醇 为溶剂， 以95%的产率得到N'-hydroxy-4-(2-methylpropyl)-2-phenylpyrimidine-5-carboximidamide
  参考文献：
  名称：

  [EN] ALPHA-HELIX MIMETIC USING A 2,5-OLIGOPYRIMIDINE SCAFFOLD
  [FR] STRUCTURE MIMÉTIQUE D'HÉLICE ALPHA UTILISANT UN SQUELETTE 2,5-OLIGOPYRIMIDINE

  摘要：

  公开号：

  WO2010083501A3

文献信息

• [EN] ALPHA-HELIX MIMETIC USING A 2,5-OLIGOPYRIMIDINE SCAFFOLD<br/>[FR] STRUCTURE MIMÉTIQUE D'HÉLICE ALPHA UTILISANT UN SQUELETTE 2,5-OLIGOPYRIMIDINE
  申请人：UNIV SOUTH FLORIDA

  公开号：WO2010083501A3

  公开（公告）日：2011-03-31
• Facile Iterative Synthesis of 2,5-Terpyrimidinylenes as Nonpeptidic α-Helical Mimics
  作者：Laura Anderson、Mingzhou Zhou、Vasudha Sharma、Jillian M. McLaughlin、Daniel N. Santiago、Frank R. Fronczek、Wayne C. Guida、Mark L. McLaughlin

  DOI：10.1021/jo100272d

  日期：2010.6.18

  A facile iterative synthesis of 2,5-terpyrimidinylenes that are structurally analogous to alpha-helix mimics is presented. Condensation of amidines with readily prepared alpha,beta-unsaturated alpha-cyanoketones gives 5-cyano-substituted pyrimidines. Iterative transformation of the 5-cyano group into an amidine allows synthesis of 2,5-terpyrimidinylenes with variable groups at the 4-, 4'-, and 4 ''-positions. These compounds are designed to mimic the i, i + 4, and i + 7 sites of an alpha-helix.