[aqua(perchlorato)(2',4',6'-trioxohexahydropyrimidine-5'-spiro-6-1,4,8,11-tetraazacyclotetradecane)copper(II)] perchlorate hydrate | 177649-09-1

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: [aqua(perchlorato)(2',4',6'-trioxohexahydropyrimidine-5'-spiro-6-1,4,8,11-tetraazacyclotetradecane)copper(II)] perchlorate hydrate
• CAS: 177649-09-1
• 化学式: C₁₃H₂₆ClCuN₆O₈*ClO₄*H₂O
• 分子量: 610.85
• InChiKey: HFHWEXJUMQXDET-UHFFFAOYSA-L

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

• 作为反应物：
  描述：

  sodium perchlorate monohydrate 、 [aqua(perchlorato)(2',4',6'-trioxohexahydropyrimidine-5'-spiro-6-1,4,8,11-tetraazacyclotetradecane)copper(II)] perchlorate hydrate 、 尿素 以 水 为溶剂， 以87%的产率得到
  参考文献：
  名称：

  Axial bonds in copper(II) compounds

  摘要：

  Structures and spectroscopic properties of copper(II) compounds of the two cyclam derivatives L-1 and L-2 are reported. L-1 has four 4-cyanobenzyl N-substituents and L-2 has a fused barbiturate ring at one of the two propylene bridges. The copper(II) complexes of L-1 ([Cu(L-1)(NCCH3)](2+) and [(Cu(L-1)(OH2)](2+)) have trans-I configuration and are five-coordinate with extremely short axial bonds. The reaction of [(Cu(L-2)(OH)(2)](2+) (purple, six-coordinate, trans-III configuration) with urea and NCS- leads to a blue five-coordinate, and with urea alone to a red four-coordinate species. The CuN4 chromophores of the three copper(II) compounds of L-2 are close to identical, and the color changes are analyzed to be due to the differences in axial interactions. (C) 2001 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s0020-1693(01)00562-x
• 作为产物：
  描述：

  巴比妥酸 、 聚合甲醛 、 高氯酸 、 {Cu(1,9-diamino-3,7-diazanonane)}(2+) 以 甲醇 、 水 为溶剂， 以41%的产率得到[aqua(perchlorato)(2',4',6'-trioxohexahydropyrimidine-5'-spiro-6-1,4,8,11-tetraazacyclotetradecane)copper(II)] perchlorate hydrate
  参考文献：
  名称：

  Barbituric acid as a new locking fragment in macrocyclization: synthesis and structural characterization of [aqua(perchlorato)(2′,4′,6′-trioxohexahydropyrimidine-5′-spiro-6-1,4,8,11- tetraazacyclotetradecane)copper(II)] perchlorate hydrate

  摘要：

  The reaction of [Cu(danda)](2+) (danda = 3,7-diazanoqane-1,9-diamine) with formaldehyde and barbituric acid resulted in a new macrocyclic compound, bearing barbituric acid as a spiro substituent which was characterized by spectral and potentiometric methods, cyclic voltammetry and single-crystal X-ray diffraction.

  DOI：

  10.1039/dt9960002017