6,7,16,17-bisbenzo-9,14-diaza-1,5-dithia-cycloheptadecane | 1228649-29-3

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 6,7,16,17-bisbenzo-9,14-diaza-1,5-dithia-cycloheptadecane
• 英文别名: cis-H4N(bu)S(pr)；2,6-Dithia-14,19-diazatricyclo[19.4.0.07,12]pentacosa-1(25),7,9,11,21,23-hexaene；2,6-dithia-14,19-diazatricyclo[19.4.0.07,12]pentacosa-1(25),7,9,11,21,23-hexaene
• CAS: 1228649-29-3
• 化学式: C₂₁H₂₈N₂S₂
• 分子量: 372.599
• InChiKey: SOCQRDKPAKYGDA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  25
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  74.7
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  盐酸 、 tetrakis(actonitrile)copper(I) hexafluorophosphate 、 6,7,16,17-bisbenzo-9,14-diaza-1,5-dithia-cycloheptadecane 以 甲醇 为溶剂， 生成 [CuCl2(cis-H6N(bu)S(pr))2][PF6]2
  参考文献：
  名称：

  The structural and electrochemical consequences of hydrogenating copper N2S2 Schiff base macrocycles

  摘要：

  A series of cis and trans tetradentate copper macrocyclic complexes, of ring size 14-16, that employ amine and thioether donor groups are reported. Apart from 5,6,15,16-bisbenzo-8,13-diaza-1,4-dithiacyclohexadecane copper(I) (cis-[Cu(H4NbuSen)](+)) all of the complexes are obtained in the copper(II) form. Crystallographic analysis shows that the copper(II) complexes all adopt a distorted planar geometry around the copper. In contrast, cis-[Cu(H4NbuSen)](+) is found to adopt a distorted tetrahedral geometry. The complexes were subjected to electrochemical analysis in water and acetonitrile. The effect of the solvent, positions of the donor atoms (cis/trans) on E-1/2 is discussed as is the comparison of the electrochemical behaviour of these complexes with their parent Schiff base macrocycles. (C) 2010 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2010.01.012
• 作为产物：
  描述：

  6,7,16,17-bisbenzo-9,14-diaza-1,5-dithia-cycloheptadeca-8,14-diene 在 sodium tetrahydroborate 作用下， 以 乙醇 为溶剂， 反应 1.0h， 生成 6,7,16,17-bisbenzo-9,14-diaza-1,5-dithia-cycloheptadecane
  参考文献：
  名称：

  The structural and electrochemical consequences of hydrogenating copper N2S2 Schiff base macrocycles

  摘要：

  A series of cis and trans tetradentate copper macrocyclic complexes, of ring size 14-16, that employ amine and thioether donor groups are reported. Apart from 5,6,15,16-bisbenzo-8,13-diaza-1,4-dithiacyclohexadecane copper(I) (cis-[Cu(H4NbuSen)](+)) all of the complexes are obtained in the copper(II) form. Crystallographic analysis shows that the copper(II) complexes all adopt a distorted planar geometry around the copper. In contrast, cis-[Cu(H4NbuSen)](+) is found to adopt a distorted tetrahedral geometry. The complexes were subjected to electrochemical analysis in water and acetonitrile. The effect of the solvent, positions of the donor atoms (cis/trans) on E-1/2 is discussed as is the comparison of the electrochemical behaviour of these complexes with their parent Schiff base macrocycles. (C) 2010 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2010.01.012

文献信息

• The structural and electrochemical consequences of hydrogenating copper N2S2 Schiff base macrocycles
  作者：Katherine D. Trotter、Michelle K. Taylor、John C. Forgie、John Reglinski、Leonard E.A. Berlouis、Alan R. Kennedy、Corinne M. Spickett、Rebecca J. Sowden

  DOI：10.1016/j.ica.2010.01.012

  日期：2010.4

  A series of cis and trans tetradentate copper macrocyclic complexes, of ring size 14-16, that employ amine and thioether donor groups are reported. Apart from 5,6,15,16-bisbenzo-8,13-diaza-1,4-dithiacyclohexadecane copper(I) (cis-[Cu(H4NbuSen)](+)) all of the complexes are obtained in the copper(II) form. Crystallographic analysis shows that the copper(II) complexes all adopt a distorted planar geometry around the copper. In contrast, cis-[Cu(H4NbuSen)](+) is found to adopt a distorted tetrahedral geometry. The complexes were subjected to electrochemical analysis in water and acetonitrile. The effect of the solvent, positions of the donor atoms (cis/trans) on E-1/2 is discussed as is the comparison of the electrochemical behaviour of these complexes with their parent Schiff base macrocycles. (C) 2010 Elsevier B.V. All rights reserved.