1,3-dimethyl-6,7,8,9,10,11-hexahydroazocino[2,1-f]purine-2,4(1H,3H)-dione | 1399854-42-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 咪唑并嘧啶类
• 英文名称: 1,3-dimethyl-6,7,8,9,10,11-hexahydroazocino[2,1-f]purine-2,4(1H,3H)-dione
• 英文别名: 1,3-Dimethyl-6,7,8,9,10,11-hexahydropurino[7,8-a]azocine-2,4-dione；1,3-dimethyl-6,7,8,9,10,11-hexahydropurino[7,8-a]azocine-2,4-dione
• CAS: 1399854-42-2
• 化学式: C₁₃H₁₈N₄O₂
• 分子量: 262.312
• InChiKey: PUXPLIMWXPZRBE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  19
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  58.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  6-[azocan-2-ylideneamino]-1,3-dimethylpyrimidine-2,4(1H,3H)-dione 在 N-溴代丁二酰亚胺(NBS) 、 copper(l) iodide 、 sodium hydride 作用下， 以 1,4-二氧六环 、 乙腈 、 mineral oil 为溶剂， 生成 1,3-dimethyl-6,7,8,9,10,11-hexahydroazocino[2,1-f]purine-2,4(1H,3H)-dione
  参考文献：
  名称：

  An approach to alicyclic ring-fused xanthines

  摘要：

  A convenient three-step approach to the synthesis of five to eight-membered alicyclic ring-fused xanthines was developed. The method included reaction of lactim or thiolactim ethers with 6-aminouracils, followed by bromination and copper-catalyzed arylation. The procedure allowed preparation of the title compounds in 21-36% overall yields. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2012.08.014

文献信息

• An approach to alicyclic ring-fused xanthines
  作者：Kostiantyn Liubchak、Andrey Tolmachev、Oleksandr O. Grygorenko、Kostiantyn Nazarenko

  DOI：10.1016/j.tet.2012.08.014

  日期：2012.10

  A convenient three-step approach to the synthesis of five to eight-membered alicyclic ring-fused xanthines was developed. The method included reaction of lactim or thiolactim ethers with 6-aminouracils, followed by bromination and copper-catalyzed arylation. The procedure allowed preparation of the title compounds in 21-36% overall yields. (C) 2012 Elsevier Ltd. All rights reserved.