1-(5,5-diallyl-4,6-dioxo-1,4,5,6-tetrahydropyrimidin-2-yl)-3-isopropylurea | 882028-28-6

• 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-(5,5-diallyl-4,6-dioxo-1,4,5,6-tetrahydropyrimidin-2-yl)-3-isopropylurea
• 英文别名: 1-[4,6-Dioxo-5,5-bis(prop-2-enyl)-1,3-diazinan-2-ylidene]-3-propan-2-ylurea；1-[4,6-dioxo-5,5-bis(prop-2-enyl)-1,3-diazinan-2-ylidene]-3-propan-2-ylurea
• CAS: 882028-28-6
• 化学式: C₁₄H₂₀N₄O₃
• 分子量: 292.338
• InChiKey: OSWAATSBTOKUOF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  21
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  99.7
• 氢给体数：
  3
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-(5,5-diallyl-4,6-dioxo-1,4,5,6-tetrahydropyrimidin-2-yl)-3-isopropylurea 、 以 not given 为溶剂， 生成
  参考文献：
  名称：

  Efficient Electronic Communication between Two Identical Ferrocene Centers in a Hydrogen-Bonded Dimer

  摘要：

  A novel ferrocene derivative that contains a donor-donor-acceptor-acceptor (DDAA) hydrogen bonding motif forms highly stable, noncovalent dimers in chloroform and dichloromethane solutions. Its voltammetric behavior and the observation of an intervalence charge-transfer band reveal that the two equivalent ferrocene centers in the hydrogen-bonded dimer exhibit a surprisingly efficient level of electronic communication.

  DOI：

  10.1021/ja060386z
• 作为产物：
  描述：

  二烯丙基丙二酸二乙酯 在 吡啶 、 sodium ethanolate 作用下， 以 乙醇 为溶剂， 反应 52.0h， 生成 1-(5,5-diallyl-4,6-dioxo-1,4,5,6-tetrahydropyrimidin-2-yl)-3-isopropylurea
  参考文献：
  名称：

  Efficient Electronic Communication between Two Identical Ferrocene Centers in a Hydrogen-Bonded Dimer

  摘要：

  A novel ferrocene derivative that contains a donor-donor-acceptor-acceptor (DDAA) hydrogen bonding motif forms highly stable, noncovalent dimers in chloroform and dichloromethane solutions. Its voltammetric behavior and the observation of an intervalence charge-transfer band reveal that the two equivalent ferrocene centers in the hydrogen-bonded dimer exhibit a surprisingly efficient level of electronic communication.

  DOI：

  10.1021/ja060386z

文献信息

• Efficient Electronic Communication between Two Identical Ferrocene Centers in a Hydrogen-Bonded Dimer
  作者：Hao Sun、Jennifer Steeb、Angel E. Kaifer

  DOI：10.1021/ja060386z

  日期：2006.3.1

  A novel ferrocene derivative that contains a donor-donor-acceptor-acceptor (DDAA) hydrogen bonding motif forms highly stable, noncovalent dimers in chloroform and dichloromethane solutions. Its voltammetric behavior and the observation of an intervalence charge-transfer band reveal that the two equivalent ferrocene centers in the hydrogen-bonded dimer exhibit a surprisingly efficient level of electronic communication.