pentamethylcyclopentadienyltechnetiumtricarbonyl

• 分子结构分类: 有机化合物 - 碳氢化合物 - 不饱和烃
• 英文名称: pentamethylcyclopentadienyltechnetiumtricarbonyl
• 英文别名: {(η5-C5Me5)Tc(CO)3}；Cp*Tc(I)(CO)3
• 化学式: C₁₃H₁₅O₃Tc
• 分子量: 317.168
• InChiKey: BGFDEDOSPDVYOT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.15
• 重原子数：
  17
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  3
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  pentamethylcyclopentadienyltechnetiumtricarbonyl 在 H₂O₂ 作用下， 以 苯 为溶剂， 以16%的产率得到
  参考文献：
  名称：

  Kanellakopulos, Basil; Nuber, Bernd; Raptis, Konstantinos, Angewandte Chemie, 1989, vol. 101, p. 1055 - 1056

  摘要：

  DOI：
• 作为产物：
  描述：

  {technetium tricarbonyl hydroxide}4 、 1,2,3,4,5-五甲基环戊二烯 以 neat (no solvent) 为溶剂， 以95%的产率得到pentamethylcyclopentadienyltechnetiumtricarbonyl
  参考文献：
  名称：

  Steps towards [(C5Me5)TcO3]: Novel synthesis of [(C5Me5)Tc(CO)3] from [{Tc(μ3−OH)(CO)3}4] and oxidation of [(C5Me5)M(CO)3] (M = Tc, Re) with Br2

  摘要：

  [NEt4](2)[Tc(Cl)(3)(CO)(3)] was prepared directly from [NBu4][TcO4]. Dissolution of [NEt4](2)[Tc(Cl)(3)(CO)(3)] in water yielded the aqua ion [Tc(OH2)(3)(CO)(3)](+) which, upon titration with 1 eq. of OH-, gave the tetranuclear complex [{Tc(mu(3)-OH)(CO)(3)}(4)] in quantitative yield and of which the structure could be elucidated. Reaction of [{Tc(mu(3)-OH)(CO)(3)}(4)] with HC5Me5 gave the important starting material [(C5Me5)M(CO)(3)] (M = Tc, Re). To achieve complexes in higher oxidation states with the C5Me5- ligand, oxidation was performed with [Br-2] for the rhenium and the corresponding technetium complex. Oxidation in trifluoroacetic acid yielded cis/trans-[(C5Me5)M(Br)(2)(CO)(2)] (M = Tc, Re). Oxidation in dichloromethane gave in both cases the seven co-ordinate, 18e(-) M(III) complex [(C5Me5)MBr(CO)(3)](+). The structure of the rhenium complex was elucidated. It was found that oxidation took place at the metal centre and the C5Me5- ring to yield [(CO)(3)M(mu-Br)(3)M(CO)(3)] as the counterion. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0277-5387(97)00500-7

文献信息

• Metallorganische Verbindungen des Technetiums
  作者：Konstantinos Raptis、Ernst Dornberger、Basil Kanellakopulos、Bernhard Nuber、Manfred L. Ziegler

  DOI：10.1016/0022-328x(91)80101-o

  日期：1991.1

  The compounds LTc(CO)3 (L  C5Me5, C5Me4Et, Ind) were synthesized for the first time and their structures as well as the well-known (C5Me5)Re(CO)3 were determined by single-crystal X-ray diffraction. The IR, 1H NMR, 13C NMR and the UV spectra are reported and discussed.

  首次合成了LTc（CO）3（L C 5 Me 5，C 5 Me 4 Et，Ind）化合物及其结构以及众所周知的（C 5 Me 5）Re（CO）3通过单晶X射线衍射确定。报道并讨论了IR，1 H NMR，13 C NMR和UV光谱。
• Syntheses, Structures and Reactivities of [CpTc(CO) ₃ X] ⁺ and [CpRe(CO) ₃ X] ⁺
  作者：Fabio Zobi、Bernhard Spingler、Roger Alberto

  DOI：10.1002/ejic.200800258

  日期：2008.9

  mixture of cis/trons-[Cp*M III Br 2 (CO)2] isomers [M = Re (cis/trans-4), 99 Tc (cis/trans-4a)] via CO release. In methanol, 3 reacts with the solvent to generate the methoxycarbonyl complex trans-[Cp*Re III (CO)2Br(COOCH3)] (5). Compound 5 is stable under basic conditions. In acidic media it is converted into [Cp*Re I -(CO) 3 ] as the major product. Kinetic studies with 13 C labelled formic acid indicate

  我们合成了 [Cp*M III (CO) 3 Br] + 配合物 (M = Re, 99 Tc) 并研究了它们在水中和有机溶剂中的基本化学性质，以了解这些配合物是否可以作为合成子用于制备用于（放射性）药物应用的新型 Re 和 99 Tc 基环戊二烯基核。[Cp*M III (CO) 3 Br]Br [M = Re (1), 99 Tc (1a)] 配合物从相应的 [Cp*MI (CO) 3 ] 与Br 2 在冷甲苯中。化合物 1 和 1a 是光和热不稳定的，在室温下经历快速的、溴化物浓度依赖性氧化还原反应，生成稳定的 [Cp*M III (CO) 3 Br][(CO) 3 MI (μ-Br) 3 MI (CO) 3 ] [M = Re (2), 99 Tc (2a)] 种作为主要产物。1 与 AgSbF 6 的反应产生氧化还原稳定的复合物 [Cp* Re III (CO) 3 -Br]SbF
• Metallorganische chemie des technetiums XII. Photolytische CO-substitutionsreaktionen von technetiumtricarbonylverbindungen. Synthesen und Röntgenstrukturanalysen von (C5H5)Tc(CO)3(PPh3), (C5Me5)Tc(CO)2(PPh3) und [HB(3,5-Me2 Pz)3Tc(CO) 2[P(OMe)3] im Vergleich mit seinen Homologen
  作者：Jürgen E. Joachim、Christos Apostolidis、Basil Kanellakopulos、Daniel Meyer、Bernhard Nuber、Konstantinos Raptis、Jean Rebizant、Manfred L. Ziegler

  DOI：10.1016/0022-328x(94)05270-l

  日期：1995.5

  phosphorous donor ligands are reported. (C5Me5)Tc(CO)3 and (C5H5)Tc(CO)3 react with triphenylphosphane to yield (C5Me5)Tc(CO)2(PPh3) (3) and (C5H5)Tc(CO)2(PPh3) (4) respectively. 3 and 4 have been isolated and their molecular and crystal structures were determined by single-crystal X-ray diffraction. The crystal structures of the yellow compounds 3 (monoclinic) and 4 (triclinic) are discussed together

  报道了三羰基tech与中性磷供体配体的光化学反应。（C 5 Me 5）Tc（CO）3和（C 5 H 5）Tc（CO）3与三苯基膦反应生成（C 5 Me 5）Tc（CO）2（PPh 3）（3）和（C 5 H 5）Tc（CO）2（PPh 3）（4）。3和4已分离出它们，并通过单晶X射线衍射确定了它们的分子和晶体结构。讨论了黄色化合物3（单斜晶系）和4（三斜晶系）的晶体结构及其光谱数据，并将其与确定的同源the化合物（C 5 Me 5）Re（CO）2（PPh 3）的结构进行了比较。）（3a）。辐射的HB（3,5-Me 2 C 3 HN 2）Tc（CO）3与亚磷酸三甲酯（TMP）的热原位反应产生HB（3,5-Me 2 C 3 HN 2Tc（CO）2（TMP）（7）。确定了7的晶体和分子结构，并与确定的同质化合物HB（3,5-Me 2 C 3 HN 2）Re（CO）2（TMP）（7a）和HB的结构进行了比较（3，5-Me
• Herrmann, Wolfgang A.; Alberto, Roger; Bryan, Jeff C., Chemische Berichte, 1991, vol. 124, p. 1107 - 1112
  作者：Herrmann, Wolfgang A.、Alberto, Roger、Bryan, Jeff C.、Sattelberger, Alfred P.

  DOI：——

  日期：——
• Fischer, Ernst Otto; Apostolidis, Christos; Dornberger, Ernst, Zeitschrift fur Naturforschung, B: Chemical Sciences, 1995, vol. 50, # 9, p. 1382 - 1395
  作者：Fischer, Ernst Otto、Apostolidis, Christos、Dornberger, Ernst、Filippou, Alexander C.、Kanellakopulos, Basil、et al.

  DOI：——

  日期：——