(E)-diethyl 2-(cytosin-1-yl)-but-2-enedioate

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: (E)-diethyl 2-(cytosin-1-yl)-but-2-enedioate
• 英文别名: diethyl (E)-2-(4-amino-2-oxopyrimidin-1-yl)but-2-enedioate
• 化学式: C₁₂H₁₅N₃O₅
• 分子量: 281.268
• InChiKey: SWNPGNFPLOOVBG-BQYQJAHWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.3
• 重原子数：
  20
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  111
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  (E)-diethyl 2-(cytosin-1-yl)-but-2-enedioate 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 48.0h， 生成 (Z)-diethyl 2-(cytosin-1-yl)-but-2-enedioate
  参考文献：
  名称：

  SYNTHESIS AND BIOLOGICAL ACTIVITIES OF (Z) AND (E) α-ETHENYL ACYCLONUCLEOSIDES

  摘要：

  Synthesis of Z and E ethenyl acyclonucleosides (6a-e and 7a-e) via Michael addition of nucleobases with the diethyl acetylenedicarboxylate is described. The structures of compounds have been confirmed by spectral data. New compounds were found to be inactive against DNA and RNA viruses.

  DOI：

  10.1081/ncn-100105239
• 作为产物：
  描述：

  胞嘧啶 、 丁炔二酸二乙酯 以 1,4-二氧六环 为溶剂， 反应 1.0h， 生成 (Z)-diethyl 2-(cytosin-1-yl)-but-2-enedioate 、 (E)-diethyl 2-(cytosin-1-yl)-but-2-enedioate
  参考文献：
  名称：

  SYNTHESIS AND BIOLOGICAL ACTIVITIES OF (Z) AND (E) α-ETHENYL ACYCLONUCLEOSIDES

  摘要：

  Synthesis of Z and E ethenyl acyclonucleosides (6a-e and 7a-e) via Michael addition of nucleobases with the diethyl acetylenedicarboxylate is described. The structures of compounds have been confirmed by spectral data. New compounds were found to be inactive against DNA and RNA viruses.

  DOI：

  10.1081/ncn-100105239

文献信息

• SYNTHESIS AND BIOLOGICAL ACTIVITIES OF (<i>Z</i>) AND (<i>E</i>) α-ETHENYL ACYCLONUCLEOSIDES
  作者：N. Redwane、H. B. Lazrek、J. L. Barascut、J. L. Imbach、J. Balzarini、M. Witvrouw、E. De Clercq

  DOI：10.1081/ncn-100105239

  日期：2001.7.31

  Synthesis of Z and E ethenyl acyclonucleosides (6a-e and 7a-e) via Michael addition of nucleobases with the diethyl acetylenedicarboxylate is described. The structures of compounds have been confirmed by spectral data. New compounds were found to be inactive against DNA and RNA viruses.