1-(benzylideneamino)pyrimidine-2,4(1H,3H)-dione

• 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: 1-(benzylideneamino)pyrimidine-2,4(1H,3H)-dione
• 英文别名: 1-[(E)-benzylideneamino]pyrimidine-2,4-dione
• 化学式: C₁₁H₉N₃O₂
• 分子量: 215.211
• InChiKey: KEIAMVOOWAPNFH-XYOKQWHBSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  61.8
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-(benzylideneamino)pyrimidine-2,4(1H,3H)-dione 反应 0.25h， 以39%的产率得到尿嘧啶
  参考文献：
  名称：

  Comparative studies for selective deprotection of the N-arylideneamino moiety from heterocyclic amides: kinetic and theoretical studies

  摘要：

  The kinetics, product analysis and theoretical studies for selective deprotection of N-arylideneamino pyridone, pyrimidinone and triazinone systems were carried out. Their reactivities were compared with each other and with related compounds previously studied. This reaction represents an efficient, clean and general synthetic procedure for the protection and selective synthesis of potential biologically active pyridines, pyrimidines and triazines and their derivatives. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2005.10.069
• 作为产物：
  描述：

  3，3-二甲氧基丙酸甲酯 、 benzaldehyde semicarbazone 以73%的产率得到
  参考文献：
  名称：

  WINCKELMANN IB; LARSEN E. H., SYNTHESIS,(1986) N 12, 1041-1044

  摘要：

  DOI：

文献信息

• WINCKELMANN IB; LARSEN E. H., SYNTHESIS,(1986) N 12, 1041-1044
  作者：WINCKELMANN IB、 LARSEN E. H.

  DOI：——

  日期：——
• US4091211A
  申请人：——

  公开号：US4091211A

  公开（公告）日：1978-05-23
• US4348518A
  申请人：——

  公开号：US4348518A

  公开（公告）日：1982-09-07
• Comparative studies for selective deprotection of the N-arylideneamino moiety from heterocyclic amides: kinetic and theoretical studies
  作者：Bobby J. George、Hicham H. Dib、Mariam R. Abdallah、Maher R. Ibrahim、Nasser S. Khalil、Yehia A. Ibrahim、Nouria A. Al-Awadi

  DOI：10.1016/j.tet.2005.10.069

  日期：2006.2

  The kinetics, product analysis and theoretical studies for selective deprotection of N-arylideneamino pyridone, pyrimidinone and triazinone systems were carried out. Their reactivities were compared with each other and with related compounds previously studied. This reaction represents an efficient, clean and general synthetic procedure for the protection and selective synthesis of potential biologically active pyridines, pyrimidines and triazines and their derivatives. (c) 2005 Elsevier Ltd. All rights reserved.