1-(2-diallylaminoethyl)isobutyrylamidocytosine

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 1-(2-diallylaminoethyl)isobutyrylamidocytosine
• 英文别名: N-[1-[2-[bis(prop-2-enyl)amino]ethyl]-2-oxopyrimidin-4-yl]-2-methylpropanamide
• 化学式: C₁₆H₂₄N₄O₂
• 分子量: 304.392
• InChiKey: WBOJCRNXWKERFJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  22
• 可旋转键数：
  9
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  65
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-(2-diallylaminoethyl)isobutyrylamidocytosine 在 sodium methylate 作用下， 以 甲醇 为溶剂， 以85%的产率得到1-(2-diallylaminoethyl)cytosine
  参考文献：
  名称：

  Two simple protocols for the preparation of diallylaminoethyl-substituted nucleic bases: a comparison

  摘要：

  The syntheses of pyrimidine and purine nucleic bases substituted with diallylaminoethyl groups are reported following two different protocols. A comparison is made between the yield, expense, and difficulty of each route. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2006.01.035
• 作为产物：
  描述：

  N⁴-isobutyrylcytosine 、 二烯丙基胺 、 2-溴乙醇 在 偶氮二甲酸二异丙酯 、 三苯基膦 作用下， 以 1,4-二氧六环 为溶剂， 以37%的产率得到1-(2-diallylaminoethyl)isobutyrylamidocytosine
  参考文献：
  名称：

  Two simple protocols for the preparation of diallylaminoethyl-substituted nucleic bases: a comparison

  摘要：

  The syntheses of pyrimidine and purine nucleic bases substituted with diallylaminoethyl groups are reported following two different protocols. A comparison is made between the yield, expense, and difficulty of each route. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2006.01.035

文献信息

• Two simple protocols for the preparation of diallylaminoethyl-substituted nucleic bases: a comparison
  作者：Rania S. Shatila、Kamal H. Bouhadir

  DOI：10.1016/j.tetlet.2006.01.035

  日期：2006.3

  The syntheses of pyrimidine and purine nucleic bases substituted with diallylaminoethyl groups are reported following two different protocols. A comparison is made between the yield, expense, and difficulty of each route. (c) 2006 Elsevier Ltd. All rights reserved.