| 300562-10-1

• CAS: 300562-10-1
• 化学式: BF₄*C₁₀H₂₀ReS₆
• 分子量: 607.469
• InChiKey: DCGWLPWQBCIFSG-SUNKFXMWSA-L

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：

  四氟硼酸-二乙醚络合物 、 perrhenate-188 、 1,4,7-三硫环壬烷 在 SnCl₂ 、 L-ascorbic acid 作用下， 以 水 、 溶剂黄146 为溶剂， 生成
  参考文献：
  名称：

  Trithiacyclononane as a Ligand for Potential Technetium and Rhenium Radiopharmaceuticals:  Synthesis of [M(9S3)(SC₂H₄SC₂H₄S)][BF₄] (M = ⁹⁹Tc, Re, ¹⁸⁸Re) via C−S Bond Cleavage

  摘要：

  Chemical or electrochemical reduction of the 1,4,7-trithiacyclononane (9S3) complexes [M-II(9S3)(2)][BF4](2) (M = Re (3a) or Tc (3b)) results in instantaneous C-S bond cleavage to yield ethene and the stable M-III thiolate complexes [M-III(9S3)L][BF4] (hl = Re (4a) or Tc (4b), L = SCH2CH2SCH2CH2S). Compounds 4 have been characterized by H-1 NMR spectroscopy, and the pseudo-octahedral geometry of 4b has been confirmed by X-ray crystallography. Upon electrochemical reduction 4a loses ethene, while 3b can be reversibly reduced to [Tc-II(9S3)L], which is then further reduced to Tc(I) with loss of ethene. Successive ethene loss is observed in the mass spectra of compounds 3 and 4. The radiosynthesis of 4a with Re-188 can be comfortably completed within 10 min starting with (ReO4-)-Re-188 from a W-188/Re-188 generator, with a radiochemical yield in excess of 90%. and thus represents a practical approach to the preparation of stable Re-188 (and Tc-99m) thioether co lex derivatives/conjugates for clinical use. Crystal data: 4b, C10H20S6Tc, orthorhombic Pbca, a = 12.233(2) b = 14.341(2) Angstrom, c = 20.726(3) Angstrom, Z = 8.

  DOI：

  10.1021/ic991240m