| 15841-98-2

• CAS: 15841-98-2
• 化学式: C₅ClO₅Tc
• 分子量: 274.505
• InChiKey: XXZMMEBLBLCEFK-KTTJZPQESA-M

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：

  、 1,4,7-triaza-9-phosphatricyclo[5.3.2^14,9]tridecane 以 二氯甲烷 为溶剂， 反应 2.0h， 生成 [⁹⁹TcCl(CAP)₂(CO)₃]
  参考文献：
  名称：

  99 Tc（I）和Re（I）与金刚烷笼氨基膦PTA和CAP的水溶性羰基配合物

  摘要：

  五羰基的复合物99 Tc和Re [M（CAP）（CO）5 ] X和[M（PTA）（CO）5 ] X（M =  99锝或Re和X = CLO 4 -或光学传递函数- ）与氨基膦配体通过[MX]的反应首次制备了1,4,7-三氮杂-9-磷三环[5.3.2 14,9 ]十三烷（CAP）和1,3,5-三氮杂-7-磷酸金刚烷（PTA） （CO）5 ]（M =  99锝或Re，X = CLO 4 -或光学传递函数- ）与CAP和PTA在CH 2氯2在室温下。[TcCl（CO）5 ]与CAP在回流CH 2中的反应Cl 2产生三羰基络合物[ 99 TcCl（CAP）2（CO）3 ]。在40–50°C的水溶液中用CAP处理[Re（H 2 O）3（CO）3 ] Cl可获得gives类似物[ReCl（CAP）2（CO）3 ]。五羰基和三羰基膦配合物均通过光谱方法（IR，NMR，MS）和单晶X射线衍射进行了表征。[M（PTA）（CO）5]

  DOI：

  10.1016/j.jorganchem.2019.05.029
• 作为产物：
  描述：

  盐酸 、 sodium [99Tc]pertechnetate 、 一氧化碳 以 水 为溶剂， 生成
  参考文献：
  名称：

  I（99 Tc，99m Tc）五羰基核与π受体配体（叔丁基异氰化物和三苯基膦）的配合物：[Tc（CO）5（PPh 3）] OTf和[Tc（CO）的晶体结构5（CNC（CH 3）3）] ClO 4

  摘要：

  的那些方法制备[开发99米的TcX（CO）5在一个合理的产率]（X =氯，溴，I）通过高压羰基化用的CO 99米TCO 4 -在水溶液中。在合成过程中，大部分目标产物积聚在气相中，并在释放压力时可以从高压釜转移到各种溶剂中。化合物[ 99米的TcX（CO）5 ]（X =氯- ，溴- ，我- ）是在几个小时中稳定，但是在更长的储存的过程中，他们逐渐分解，得到三羰基物种。卤化物配体在[ 99研究了异氰酸叔丁基酯和三苯基膦的TcX（CO）5和[ 99m TcX（CO）5 ] 。给出了配合物[Tc（CO）5（PPh 3）] OTf和[Tc（CO）5（CNC（CH 3）3）] ClO 4的结构。

  DOI：

  10.1016/j.jorganchem.2007.09.032

文献信息

• Synthesis of [99TcX(CO)5] (X = Cl, Br, I) at ambient pressure
  作者：Alexander E. Miroslavov、Henrik Braband、Georgii V. Sidorenko、Ekaterina S. Stepanova、Alexander A. Lumpov、Roger Alberto

  DOI：10.1016/j.jorganchem.2018.06.028

  日期：2018.9

  A novel procedure for ambient-pressure synthesis of pentacarbonyltechnetium halides [99TcX(CO)5] (X = Cl, Br) was developed. The procedure is based on treatment of K2[99TcX6] with a mixture of HCOOH and H2SO4 on heating. With X = I, a mixture of [99TcI(CO)5] and [99TcI(CO)4]2 was obtained. The products were characterized by elemental analysis and by 99Tc NMR and IR spectroscopy.

  开发了一种新的常压合成卤代五羰基tech [ 99 TcX（CO）5 ]（X = Cl，Br）的程序。该程序基于加热时用HCOOH和H 2 SO 4的混合物处理K 2 [ 99 TcX 6 ] 。X ＝ 1时，获得[ 99 TcI（CO）5 ]和[ 99 TcI（CO）4 ] 2的混合物。产物通过元素分析，99 Tc NMR和IR光谱表征。
• 2 + 1 Chelating Systems for Binding Organometallic Fragment Tc(CO) 3 +
  作者：N. I. Gorshkov、A. A. Lumpov、A. E. Miroslavov、D. N. Suglobov

  DOI：10.1007/s11137-005-0045-2

  日期：2005.1

  Complexation of 99, 99m Tc(CO) 3 + organometallic fragment with 2 + 1 chelating systems was studied. HPLC analysis showed that the dithiocarbamate complexes of 99m Tc are stronger than their xanthate, acetylacetonate, and γ-methoxycarbonylmethylacetylacetonate analogs. To block the third vacancy in the technetium coordination sphere, we studied thiols, thioethers, primary and secondary amines, hydroxyl ion, imidazole, phosphines, and isocyanides. As determined by 99m Tc NMR spectroscopy, the mixed-ligand complexes Tc(CO)3(DTC)L (DTC is dithiocarbamate and L is isocyanide, imidazole, and phosphine) are the most stable to the histidine challenge reaction. HPLC analysis showed that, among these 2 + 1 systems, only the DTC-isonitrile system forms a single complex with 99m Tc(CO) 3 + . The minimal dithiocarbamate-isocyanide concentration providing complete binding of 99m Tc(CO) 3 + is 10−4 M.

  研究了 99、99m Tc(CO) 3 + 有机金属片段与 2 + 1 螯合体系的络合。高效液相色谱分析显示，99m Tc 的二硫代氨基甲酸盐络合物比黄原酸盐、乙酰丙酮酸盐和γ-甲氧羰基甲基乙酰丙酮酸盐类似物更强。为了阻止锝配位球中的第三个空位，我们研究了硫醇、硫醚、伯胺和仲胺、羟基离子、咪唑、膦和异氰酸酯。根据 99m Tc NMR 光谱测定，混合配体配合物 Tc(CO)3(DTC)L（DTC 为二硫代氨基甲酸酯，L 为异氰酸酯、咪唑和膦类）对组氨酸挑战反应最稳定。高效液相色谱分析显示，在这些 2 + 1 系统中，只有 DTC- 异腈系统与 99m Tc(CO) 3 + 形成单一复合物。能与 99m Tc(CO) 3 + 完全结合的最小二硫代氨基甲酸-异氰酸酯浓度为 10-4 M。
• 2 + 1 Tricarbonyl Complexes of Technetium(I) with a Combination of <i>N</i>,<i>N</i>-Bidentate Ligands and Ethyl Isocyanoacetate: How Strong Is the Interfering Effect of Chloride Ions on Their Formation?
  作者：Georgy V. Sidorenko、Alexander E. Miroslavov、Margarita Yu. Tyupina、Vladislav V. Gurzhiy、Anna P. Sakhonenkova、Alexander A. Lumpov

  DOI：10.1021/acs.inorgchem.3c02204

  日期：2023.9.25

  5CH2Cl2) and [99Tc(CO)3(phen)(CNCH2COOEt)](ClO4) (in the form of an adduct with an outer-sphere phen molecule) were determined by single-crystal X-ray diffraction. To evaluate the interfering effect of chloride ions on the formation of the 2 + 1 complexes, the kinetics of the replacement of labile monodentate ligand X in the complexes [MX(CO)3(N∧N)] (M = Re, 99Tc; N∧N = bipy, phen; X = Cl–, ClO4–) by

  制备了由N , N -二齿配体（2,2'-联吡啶，bipy；1,10-菲咯啉，phen）和异氰乙酸乙酯组合而成的锝(I) 2 + 1 三羰基配合物，并通过 NMR、IR、UV 进行了表征/可见光、发光光谱和高效液相色谱 (HPLC)。[ 99 Tc(CO) 3 (bipy)(CNCH 2 COOEt)](ClO 4 )（与0.5CH 2 Cl 2的溶剂化物形式）和[ 99 Tc(CO) 3 (phen)(的晶体结构CNCH 2 COOEt)](ClO 4 )（与外球苯分子的加合物形式）通过单晶X射线衍射测定。为了评估氯离子对 2 + 1 络合物形成的干扰作用，络合物中不稳定单齿配体 X 的取代动力学 [MX(CO) 3 (N ∧ N)] ( M = Re , 99 Tc ;N∧N = bipy,phen;X=Cl- , ClO 4- )通过CNCH 2 COOEt在乙醇中进行比较。X = ClO
• Synthesis and properties of 99Tc(I) and 99m Tc(I) hexacarbonyl in aqueous solutions
  作者：A. E. Miroslavov、G. V. Sidorenko、A. A. Lumpov、V. A. Mikhalev、D. N. Suglobov

  DOI：10.1134/s1066362209020040

  日期：2009.4

  A procedure was developed for preparing Tc(CO)(6)ClO4 by carbonylation of a solution of technetium( I) tricarbonyltriaqua complex in 2 M HClO4 in a pressure vessel at 100-170 degrees C and CO pressure of 150 atm. The hexacarbonyltechnetium cation in solution was characterized by IR and Tc-99 NMR spectroscopy, and also by high-performance liquid chromatography (HPLC). The effect of particular acid and of synthesis conditions on the yield of the hexacarbonyltechnetium cation was examined, and the stability of this cation in aqueous solutions was evaluated. Conditions were found for preparing an aqueous solution containing Tc-99m(CO)(6)(+).