| 1147097-11-7

• CAS: 1147097-11-7
• 化学式: C₁₅H₄F₅MnO₅
• 分子量: 414.124
• InChiKey: HCFJGVCSROIYAT-UHFFFAOYSA-N

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

• 作为反应物：
  描述：

  、 苄胺 在 NaHCO₃ 作用下， 以 水 、 N,N-二甲基甲酰胺 为溶剂， 以65%的产率得到
  参考文献：
  名称：

  Aqueous syntheses of [(Cp-R)M(CO)3] type complexes (Cp=cyclopentadienyl, M=Mn, 99mTc, Re) with bioactive functionalities

  摘要：

  We describe reactions of [Tc-99m(H2O)(3)(CO)(3))](+) (1) with Diels-Alder products of cyclopentadiene such as "Thiele's acid" (HCp-COOH)(2) (2) and derivatives thereof in which the corresponding [(Cp-COOH)Tc-99m(CO)(3))] (3) complex did form in water. We propose a metal mediated Diels-Alder reaction mechanism. To show that this reaction was not limited to carboxylate groups, we synthesized conjugates of 2 (HCp-CONHR)(2) (4a-c) (4a, R = benzyl amine; 4b, R = N-alpha-Boc-L-2,3-diaminopropionic acid and 4c, R = glycine). The corresponding 99mTc complexes [(4a)Tc-99m(CO)(3))] 6a, [(4b)Tc-99m(CO)(3))] 6b and [(4c)Tc-99m(CO)(3))] 6c have been prepared along the same route as for Thiele's acid in aqueous media demonstrating the general applicability of this synthetic strategy. The authenticity of the 99mTc complexes on the no carrier added level have been confirmed by chromatographic comparison with the structurally characterized manganese or rhenium complexes.Studies of the reaction of 1 with Thiele's acid bound to a solid phase resin demonstrated the formation of [(Cp-COOH)Tc-99m(CO)(3))] 3 in a heterogeneous reaction. This is the first evidence for the formation of no carrier added Tc-99m radiopharmaceuticals containing cyclopentadienyl ligands via solid phase syntheses. Macroscopically, the manganese analogue 5a and the rhenium complexes 5b- c have been prepared and characterized by IR, NMR, ESI-MS and X-ray crystallography for 5a (monoclinic, P2(1)/c, a = 9.8696(2) angstrom, b = 25.8533(4) angstrom, c = 11.8414(2) angstrom, beta = 98.7322(17)degrees) in order to unambiguously assign the authenticity of the corresponding 99mTc complexes. (c) 2008 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2008.12.006
• 作为产物：
  描述：

  cymantrenecarboxylic acid 、 三氟乙酸五氟苯酯 以 吡啶 、 N,N-二甲基甲酰胺 为溶剂， 以85%的产率得到
  参考文献：
  名称：

  Aqueous syntheses of [(Cp-R)M(CO)3] type complexes (Cp=cyclopentadienyl, M=Mn, 99mTc, Re) with bioactive functionalities

  摘要：

  We describe reactions of [Tc-99m(H2O)(3)(CO)(3))](+) (1) with Diels-Alder products of cyclopentadiene such as "Thiele's acid" (HCp-COOH)(2) (2) and derivatives thereof in which the corresponding [(Cp-COOH)Tc-99m(CO)(3))] (3) complex did form in water. We propose a metal mediated Diels-Alder reaction mechanism. To show that this reaction was not limited to carboxylate groups, we synthesized conjugates of 2 (HCp-CONHR)(2) (4a-c) (4a, R = benzyl amine; 4b, R = N-alpha-Boc-L-2,3-diaminopropionic acid and 4c, R = glycine). The corresponding 99mTc complexes [(4a)Tc-99m(CO)(3))] 6a, [(4b)Tc-99m(CO)(3))] 6b and [(4c)Tc-99m(CO)(3))] 6c have been prepared along the same route as for Thiele's acid in aqueous media demonstrating the general applicability of this synthetic strategy. The authenticity of the 99mTc complexes on the no carrier added level have been confirmed by chromatographic comparison with the structurally characterized manganese or rhenium complexes.Studies of the reaction of 1 with Thiele's acid bound to a solid phase resin demonstrated the formation of [(Cp-COOH)Tc-99m(CO)(3))] 3 in a heterogeneous reaction. This is the first evidence for the formation of no carrier added Tc-99m radiopharmaceuticals containing cyclopentadienyl ligands via solid phase syntheses. Macroscopically, the manganese analogue 5a and the rhenium complexes 5b- c have been prepared and characterized by IR, NMR, ESI-MS and X-ray crystallography for 5a (monoclinic, P2(1)/c, a = 9.8696(2) angstrom, b = 25.8533(4) angstrom, c = 11.8414(2) angstrom, beta = 98.7322(17)degrees) in order to unambiguously assign the authenticity of the corresponding 99mTc complexes. (c) 2008 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2008.12.006