(1,4-dioxa-8-azaspiro-N-2-thiolatoethylene-[4,5]-decane)N,N-bis(2-mercaptoethyl)(N',N'-diethylethylenediamine)oxorhenium(V) | 218788-15-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 氮杂螺癸烷衍生物
• 英文名称: (1,4-dioxa-8-azaspiro-N-2-thiolatoethylene-[4,5]-decane)N,N-bis(2-mercaptoethyl)(N',N'-diethylethylenediamine)oxorhenium(V)
• CAS: 218788-15-9
• 化学式: C₁₉H₃₈N₃O₃ReS₃
• 分子量: 638.934
• InChiKey: DFPLAKWNQQEFLR-UHFFFAOYSA-K

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

• 作为产物：
  描述：

  trans-[ReOCl3(PPh3)2] 、 1,4-dioxa-8-azaspiro-N-2-mercaptoethylene-[4,5]-decane 、 N,N-bis(2-mercaptoethyl)-N',N'-diethylethylenediamine 在 sodium acetate 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 以49%的产率得到1,4-dioxa-8-azaspiro-N-2-mercaptoethylene-[4,5]-decane(triphenylphosphinato)dioxorhenium(V)
  参考文献：
  名称：

  A mixed-ligand P,S,N-cis-dioxorhenium(V) complex by ligand exchange reactions on trans-monooxo-trichlorobis(triphenylphosphine)rhenium(V): formation and structural studies

  摘要：

  In the course of our efforts to synthesize rhenium(V) complexes for potential use in nuclear medicine, tridentate dithiolate ligands were combined with (dialkylamine) ethylene thiols [HS-(CH2)(2)-NR'(2)] (R' = alkyl, alkoxy) to form amine group bearing mixed-ligand complexes [ReO(SNS)(S)]. The reaction of HS-CH2-CH2-N-(CH2-CH2 N(C2H5)(2))CH2-CH2-SH (N,N-bis(2-mercaptoethyl)-N',N'-diethylethylenediamine, 2, as a trischelating ligand and 1,4-dioxa-8-azaspiro-N-2-mercaptoethylene[4,5]-decane, 3, with the neutral Re(V) complex [ReOCl3(PPh3)(2)], 1, yields, in addition to the expected square-pyramidal "3+1" compound (1,4-dioxa-8-azaspiro-N-2-thiolatoethylene-[4,5]-decane)N,N-bis(2-mercaptoethyl)(N',N' di-ethyl-ethylenediamine)oxorhenium(V), 4, the new five-coordinated complex [1,4-dioxa-8-azaspiro-N-2-mercaptoethylene-[4,5]-decane(triphenylphosphinato)dioxorhenium(V)], 5. Being the only product in the absence of the tridentate component, 5 has a trigonal-bipyramidal structure, where the coordination sphere is formed by two xo groups in an uncommon cia-arrangement, S and N from the aminothiolate and by the phosphorus atom from the phosphine group originating from the precursor molecule. The structure was verified by mass, H-1 NMR, IR spectroscopy as well as by XRD. In addition, extended x-ray absorption spectroscopy (EXAFS) was applied to both the precursor and the resulting compound 5 to compare the complex structures in the solid and the soluted state. Experiments with O-18 labelled water added to the reaction mixture led to O-18 in the dioxo core, showing that water is the origin of the additional oxo group. (C) 1998 Elsevier Science Ltd. All rights reserved. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0277-5387(98)00169-7