R,S,R,S-[Cu(1,3,10,12,16,19-hexaazatetracyclo[17,3,1,1(12,16),0(4,9)]tetracosane)](2+) | 693222-03-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: R,S,R,S-[Cu(1,3,10,12,16,19-hexaazatetracyclo[17,3,1,1(12,16),0(4,9)]tetracosane)](2+)
• CAS: 693222-03-6；137760-38-4；693222-40-1
• 化学式: C₁₈H₃₆CuN₆
• 分子量: 400.07
• InChiKey: ROOPHTQQOLVFNX-GNXQHMNLSA-N

计算性质

• 辛醇/水分配系数(LogP)：
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• 重原子数：
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• 可旋转键数：
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• 环数：
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• sp3杂化的碳原子比例：
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• 拓扑面积：
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• 氢给体数：
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• 氢受体数：
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反应信息

• 作为反应物：
  描述：

  盐酸 、 R,S,R,S-[Cu(1,3,10,12,16,19-hexaazatetracyclo[17,3,1,1(12,16),0(4,9)]tetracosane)](2+) 以 硝基甲烷 为溶剂， 生成 R,S,R,S-[chloro(1,3,10,12,16,19-hexaazatetracyclo[17,3.1,1(12,16),O(4,9)]tetracosane)copper(II)](1+)
  参考文献：
  名称：

  Preparation, properties and crystal structure of two isomers of R,R,S,S- and R,S,R,S-[chloro(1,3,10,12,16,19-hexaazatetracyclo[17,3,1,112,16,04,9]tetracosane)copper(II)]+

  摘要：

  Two isomers (R, S, R, S- and R, R, S, S-) of five coordinate complex [Cu(L)Cl](divided by) have been separated and characterised. These two isomers have significantly different spectrochemical and electrochemical properties. Absorption maximum of R, S R, S-[Cu(L)Cl](divided by) shifts to longer wavelength and its reduction potential shifts to more positive direction comparing those of R,R,S,S-[Cu(L)Cl](divided by). R. S, R, S-[Cu(L)Cl](divided by) is significantly distorted to trigonal-bipyramidal structure, whereas R, R, S, S-[Cu(L)Cl](divided by) retains almost square-planar geometry. The average bond distance of Cu-N in basal plane of R, S, R, S-[Cu(L)Cl](divided by) I is longer by 0.024 A than that of R, R, S, S-[Cu(L)Cl](+), whereas the bond distance of Cu-Cl in former is shorter by 0.200 A than that in latter. The isolated square-planar complexes of R, R S, S- and R, S. R, S-[Cu(L)](ClO4)(2) are converted to the R, R S, S- and R, S R, S-[Cu(L)Cl](divided by) by the addition of Cl- in nitromethane solution with the rate constants, k = 1.70 (+/-0.02) and 8.31 (+/-0.07) M-1 s(-1). respectively. (C) 2003 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2003.12.007