5-Amino-9-hydroxy-4,6,8-triaza-tricyclo[7.3.1.0^2,7]trideca-2(7),5-dien-3-one | 212833-33-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶并嘧啶类
• 英文名称: 5-Amino-9-hydroxy-4,6,8-triaza-tricyclo[7.3.1.0^2,7]trideca-2(7),5-dien-3-one
• 英文别名: 5-Amino-9-hydroxy-4,6,8-triazatricyclo[7.3.1.02,7]trideca-2(7),5-dien-3-one；5-amino-9-hydroxy-4,6,8-triazatricyclo[7.3.1.02,7]trideca-2(7),5-dien-3-one
• CAS: 212833-33-5
• 化学式: C₁₀H₁₄N₄O₂
• 分子量: 222.247
• InChiKey: SDECFWLHWFSYSD-UHFFFAOYSA-N

物化性质

• 密度：
  1.86±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.6
• 重原子数：
  16
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  99.7
• 氢给体数：
  4
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  5-Amino-9-hydroxy-4,6,8-triaza-tricyclo[7.3.1.0^2,7]trideca-2(7),5-dien-3-one 在 镍 、 sodium hydride 作用下， 以 乙醇 为溶剂， 反应 31.0h， 生成 2,2-Dimethyl-N-(3-oxo-4,6,8-triaza-tricyclo[7.3.1.0^2,7]trideca-2(7),5-dien-5-yl)-propionamide
  参考文献：
  名称：

  Unexpected and facile bridgehead substitution in 5,6,7,8,9,10-hexahydro-5,9-methano-pyrimido[4,5-]azocin-4(3)-ones

  摘要：

  Condensation of 2,6-diamino-4(3 (H) under bar)-pyrimidinone with 2-cyclohexen-1-one gives a tricyclic product resulting from Michael addition followed by intramolecular hemiaminal formation. A methodology has been developed for reductive removal of the bridgehead hydroxyl group. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(98)00512-2
• 作为产物：
  描述：

  2-环己烯-1-酮 、 2,4-二氨基-6-羟基嘧啶 在 sodium methylate 作用下， 生成 5-Amino-9-hydroxy-4,6,8-triaza-tricyclo[7.3.1.0^2,7]trideca-2(7),5-dien-3-one
  参考文献：
  名称：

  Unexpected and facile bridgehead substitution in 5,6,7,8,9,10-hexahydro-5,9-methano-pyrimido[4,5-]azocin-4(3)-ones

  摘要：

  Condensation of 2,6-diamino-4(3 (H) under bar)-pyrimidinone with 2-cyclohexen-1-one gives a tricyclic product resulting from Michael addition followed by intramolecular hemiaminal formation. A methodology has been developed for reductive removal of the bridgehead hydroxyl group. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(98)00512-2

文献信息

• Unexpected and facile bridgehead substitution in 5,6,7,8,9,10-hexahydro-5,9-methano-pyrimido[4,5-]azocin-4(3)-ones
  作者：Edward C Taylor、James E Dowling、Thomas Schrader、Beena Bhatia

  DOI：10.1016/s0040-4020(98)00512-2

  日期：1998.8

  Condensation of 2,6-diamino-4(3 (H) under bar)-pyrimidinone with 2-cyclohexen-1-one gives a tricyclic product resulting from Michael addition followed by intramolecular hemiaminal formation. A methodology has been developed for reductive removal of the bridgehead hydroxyl group. (C) 1998 Elsevier Science Ltd. All rights reserved.