5,6,17,18-dibenzo-11,12-dibromobenzo,2,3-bis(hydroxyimino)-1,4-diaza,7,16-dithia-10,13-dioza-2,3,8,9,14,15-hexahydrocyclodecine | 444988-38-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并硫氮卓类
• 英文名称: 5,6,17,18-dibenzo-11,12-dibromobenzo,2,3-bis(hydroxyimino)-1,4-diaza,7,16-dithia-10,13-dioza-2,3,8,9,14,15-hexahydrocyclodecine
• 英文别名: N-[28,29-dibromo-14-(hydroxyamino)-2,25-dioxa-5,22-dithia-12,15-diazatetracyclo[24.4.0.06,11.016,21]triaconta-1(30),6,8,10,12,14,16,18,20,26,28-undecaen-13-yl]hydroxylamine
• CAS: 444988-38-9
• 化学式: C₂₄H₂₂Br₂N₄O₄S₂
• 分子量: 654.403
• InChiKey: RFRIFTYKKVOSLX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.5
• 重原子数：
  36
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  158
• 氢给体数：
  4
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  nickel(II) nitrate hexahydrate 、 5,6,17,18-dibenzo-11,12-dibromobenzo,2,3-bis(hydroxyimino)-1,4-diaza,7,16-dithia-10,13-dioza-2,3,8,9,14,15-hexahydrocyclodecine 在 三乙胺 作用下， 以 四氢呋喃 为溶剂， 以50%的产率得到(5,6,17,18-dibenzo-11,12-dibromobenzo,2,3-bis(hydroxyimino)-1,4-diaza,7,16-dithia-10,13-dioza-2,3,8,9,14,15-hexahydrocyclodecine)2Ni
  参考文献：
  名称：

  Synthesis, spectroscopy and redox properties of a novel (E–E) vic-dioxime and its mono-, di- and trinuclear complexes bearing an 18-membered N2O2S2 macrocyle

  摘要：

  A new 18-membered figand, 2,3-dibromo-6,7,13,14,15,16,22,23-octahydro 14, 15-bis(hydroxyimino)-tribenzo [e,k,q] [1,4,10,13,7,16] diazadioxadithiacyclooctadecine (LH4) containing three different heteroatoms (N-, O-, S-) has been prepared from 1,2-bis (2'-amino phenylsulfanylethoxy)-4,5-dibromobenzene and cyanogen di-N-oxide. Mononuclear (LH3)(2)M, where M = Ni(II), Cu(II), Co(II), Fe(II) binuclear (LH)(2)(UO2)(2)(OH)(2) and trinuclear (LH)(2)M-3, where M = Cu (II), Co (II) complexes of LH4 have been obtained with a metal:ligand ratio 1:2, 2:2 and 3:2, respectively, through N,N-coordinating or N, N, S, S-coordinating in the presence of a base, as do most of the vic-dioximes. H-1 NMR, IR, UV-Vis and MS data are presented. The cyclic voltammetric (CV) measurements of the newly synthesized compounds were measured. Voltammetric results showed that oxime-containing ligands stabilize Ni(III), Fe(III), Co(III) and Cu(III). The Fe(II) complex displayed a different behavior with respect to other complexes. This indicated that both Fe(III) and Fe(I) species are stable while oxime containing ligands tend to stabilize only one of the oxidized forms of the metal center of the complexes. Differently, ligand based reduction was recorded only with the Ni(II) complex. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0277-5387(02)00860-4