{Cu(1,9-diamino-3,7-diazanonane)}(2+) | 129783-52-4

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: {Cu(1,9-diamino-3,7-diazanonane)}(2+)
• 英文别名: [Cu(2,3,2-tet)](2+)；copper;N,N'-bis(2-aminoethyl)propane-1,3-diamine
• CAS: 129783-52-4；142630-61-3；45980-55-0
• 化学式: C₇H₂₀CuN₄
• 分子量: 223.809
• InChiKey: FNSJCPAXFHHNHH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.53
• 重原子数：
  12
• 可旋转键数：
  8
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  76.1
• 氢给体数：
  4
• 氢受体数：
  4

反应信息

• 作为反应物：
  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
• 作为产物：
  描述：

  5,7-diphenyl-1,4,8,11-tetraazacyclotetradecane-6,6-dicarboxylic acid diethyl ester copper(II) diperchlorate 在 water 作用下， 以 not given 为溶剂， 生成 {Cu(1,9-diamino-3,7-diazanonane)}(2+)
  参考文献：
  名称：

  含丙二酸二乙酯作为挂锁的四氮杂大环的席夫碱模板合成

  摘要：

  摘要丙二酸二乙酯在Cu II指导的14元四氮杂-大环化合物的定向合成中作为有效的锁定片段。在[Cu II（en）2+（en = 1,2-二氨基乙烷）与2当量的反应中 甲醛和三乙胺存在下丙二酸二乙酯的1,2,4,8,11-四氮杂环十四烷-6,6,13,13-四羧酸四乙酯四氯化铜（II）络合物盐的形成：单斜晶系，空间群C 2 / c其中a = 12.201（5）A，b = 12.464（5）A，c = 21.353（22）A，α= 90°，β= 91.30（6）°，γ= 90°，V = 3247（4）A 3，Z = 4（R = 0.072，R w = 0.072）。如果两个en片段被四胺2.3.2-tet（N / N'-双-（2-氨基-乙基）-丙烷-1，3-二胺），如果合成是在严格的无水条件下进行的。5,7-二苯基-1,4,8,11-四氮杂环十四烷-6,6-二羧酸二乙酯二氯铜（II）配合物收率

  DOI：

  10.1016/0020-1693(96)05124-9

文献信息

• Structural Properties of Cyclopentanone-Bridged Bis-Macrocyclic Ligand Dicopper(II) Complexes in the Solid and in Solution:  A Successful Test of the MM-EPR Method
  作者：Peter Comba、Marion Kerscher、Yaroslaw D. Lampeka、Lutz Lötzbeyer、Hans Pritzkow、Lyudmyla V. Tsymbal

  DOI：10.1021/ic026265r

  日期：2003.6.1

  The copper(II)-assisted condensation of 2,3,2-tet (3,7-diazanonane-1,9-diamine) with formaldehyde and cyclopentanone yields the mono- and bis-macrocyclic Mannich condensation products L-1 and L-2, as well as the Schiff-base product L-3, all with cyclam-type tetraaza macrocycles, coordinated to copper(II). The combination of molecular mechanics and EPR spectroscopy (MM-EPR) reveals that all three isomers of [Cu-2(L-2)(OH2)(n)](2) (n = 0-4), with the expected trans-III (R,R,S,S) configuration of the 14-membered tetraaza macrocycles, are of similar stability, and that the isomer whose structure is solved by X-ray crystallography has a different structure in solution.
• 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(<scp>II</scp>)] perchlorate hydrate
  作者：Yaroslaw D. Lampeka、Alexander I. Prikhod'ko、Alexander Y. Nazarenko、Edward B. Rusanov

  DOI：10.1039/dt9960002017

  日期：——

  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.
• Schiff-base template synthesis of tetra-aza macrocycles involving diethylmalonate as a padlock
  作者：Luigi Fabbrizzi、Maurizio Licchellia、Antonio Poggi、Omar Vassalli、Luciano Ungaretti、Nicola Sardone

  DOI：10.1016/0020-1693(96)05124-9

  日期：1996.5

  Abstract Diethylmalonate acts as an efficient locking fragment in the Cu II directed synthesis of 14-membered tetra-aza-macrocycles. In the reaction of [Cu II (en) 2+ (en = 1,2-diaminoethane) with 2 equiv. of diethylmalonate in the presence of formaldehyde and triethylamine the 1,4,8,11-tetraazacyclotetradecane-6,6,13,13-tetracarboxylic acid tetraethyl ester copper(II) diperchlorate complex salt is

  摘要丙二酸二乙酯在Cu II指导的14元四氮杂-大环化合物的定向合成中作为有效的锁定片段。在[Cu II（en）2+（en = 1,2-二氨基乙烷）与2当量的反应中 甲醛和三乙胺存在下丙二酸二乙酯的1,2,4,8,11-四氮杂环十四烷-6,6,13,13-四羧酸四乙酯四氯化铜（II）络合物盐的形成：单斜晶系，空间群C 2 / c其中a = 12.201（5）A，b = 12.464（5）A，c = 21.353（22）A，α= 90°，β= 91.30（6）°，γ= 90°，V = 3247（4）A 3，Z = 4（R = 0.072，R w = 0.072）。如果两个en片段被四胺2.3.2-tet（N / N'-双-（2-氨基-乙基）-丙烷-1，3-二胺），如果合成是在严格的无水条件下进行的。5,7-二苯基-1,4,8,11-四氮杂环十四烷-6,6-二羧酸二乙酯二氯铜（II）配合物收率