[1,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine(+H))][(1,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine)CuBr2] | 1373491-10-1

• 英文名称: [1,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine(+H))][(1,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine)CuBr2]
• 英文别名: [H2hpp][(Hhpp)CuBr2]
• CAS: 1373491-10-1
• 化学式: C₇H₁₃Br₂CuN₃*C₇H₁₄N₃
• 分子量: 502.763
• InChiKey: LSDSUHJYCIUQCD-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为产物：
  描述：

  1,5,7-三氮杂双环[4.4.0]癸-5-烯 、 copper(I) bromide 以 四氢呋喃 为溶剂， 以36%的产率得到[1,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine(+H))][(1,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine)CuBr2]
  参考文献：
  名称：

  New anionic copper(I) dihalide cyclic guanidinate compounds with H-bonded chelating guanidinium cations

  摘要：

  Two new copper(I) dihalide cyclic guanidine salts have been synthesized and characterized structurally, (H(2)hpp) [(Hhpp) CuCl2], 1 and (H(2)hpp) [(Hhpp)CuBr2], 2, where Hhpp = (1,3,4,6,7,8-hexahydropyrimido[1,2-a] pyrimidine). Both compounds are isomorphous, crystallizing in the monoclinic space group P2(1)/c. They exhibit the very unusual feature of a trigonal planar copper(I) center tri-coordinated to a neutral cyclic guanidine with two halides in an anion and a cyclic guanidinium cation H-bonded as a chelate to the halides. (C) 2012 Elsevier B. V. All rights reserved.

  DOI：

  10.1016/j.ica.2012.01.043