trans-TcCl(CO)3(PPh3)2 | 64396-16-3

• 英文名称: trans-TcCl(CO)3(PPh3)2
• 英文别名: [TcCl(CO)3(PPh3)2]
• CAS: 64396-16-3
• 化学式: C₃₉H₃₀ClO₃P₂Tc
• 分子量: 741.973
• InChiKey: IWNINEVOOSGUFS-UHFFFAOYSA-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：

  trans-TcCl(CO)3(PPh3)2 、 3α,7α,12α-trihydroxy-5β-cholate, sodium salt 在 NEt₃ 作用下， 以 甲苯 为溶剂， 以42%的产率得到[Tc(CO)2(PPh3)2(3α,7α,12α-trihydroxy-5β-cholate)]
  参考文献：
  名称：

  Organometallic radiopharmaceuticals: rhenium(I) carbonyl complexes of natural bile acids and derivatives

  摘要：

  The precursor [Re(CO)(3)(PPh3)(2)Cl] reacts with natural bile acids to give new carboxylato-carbonyl(phosphine) rhenium(I) complexes [Re(CO)(2)(PPh3)(2)(L)] (HL = natural bile acids). Coupling reactions between the carboxylic group of bile acids with the NH2 moiety of 2-aminothiazole, 2-(2-aminoethyl)pyridine and hydrazine form derivatives which coordinate the metal ion through the deprotonated amidic group. For a comparison, the carboxylato-rhenium(I) complex [NEt4][Re(CO)(3)Cl(Ll)] (HLl = 3 alpha,7 alpha,12 alpha-trihydroxy-5 beta-cholic acid) was synthesized starting from the [Re(CO)(3)Cl-3](2-) precursor. The complex [Tc(CO)(3)(PPh3)(2)Cl] reacts with HLl to form the corresponding carboxylato-carbonyl compound [Tc(CO)(2)(PPh3)(2)(LI)]. No difference in reactivity is observed with respect to the reactions carried out with the Re(I) starting materials. The complexes were characterized by elemental analyses, IR and NMR spectral and a few also by mass spectrometry. An octahedral geometry may be assigned to these complexes. The two phosphine ligands are located in the axial position, and the two cis-CO groups having in trans the chelating ligand define the equatorial plane. (C) 1999 Elsevier Science S.A. All rights reserved.

  DOI：

  10.1016/s0020-1693(98)00379-x
• 作为产物：
  描述：

  [Tc(OH₂)(CO)₃(PPh₃)₂](BF₄) 、 sodium chloride 在 水 作用下， 以 二氯甲烷 为溶剂， 反应 0.17h， 以96%的产率得到trans-TcCl(CO)3(PPh3)2
  参考文献：
  名称：

  具有小无机配体的锝（I）羰基化学

  摘要：

  [Tc(OH 2 )(CO) 3 (PPh 3 ) 2 ](BF 4 ) 已被用作合成子，用于与小无机配体的反应，与处理核废料溶液如硝酸盐、亚硝酸盐、拟卤化物、过金属酸盐有关(M = Mn、Tc、Re) 和 BH 4 –。对于大多数产品，已观察到键异构体的形成和/或不同的反应性。[Tc(NCO)(CO) 3 (PPh 3 ) 2 ]、[Tc(NCS)(CO) 3 (PPh 3 ) 2 ]、[Tc(CN)(CO) 3 (PPh 3 ) 2 ]、[Tc (N 3)(CO) 3 (PPh 3 ) 2 ]、[Tc(NCO)(OH 2 )(CO) 2 (PPh 3 ) 2 ]、[Tc(η 2 -OON)(CO) 2 (PPh 3 ) 2 ] , [Tc(η 1 -NO 2 )(CO) 3 (PPh 3 ) 2 ], [Tc(η 2 -OONO)(CO) 2 (PPh 3 ) 2 ], [Tc(η 1

  DOI：

  10.1021/acs.inorgchem.1c03919

文献信息

• Synthesis and characterization of new technetium(I) and rhenium(I) Schiff base complexes. Crystal structure of [M(PPh3)2(CO)2 {(C3H2NS)NCHC6H4O}] (MTc, Re; C3H2NSThiazol-2-yl)
  作者：Roberto Rossi、Andrea Marchi、Luciano Magon、Adriano Duatti、Umberto Casellato、Rodolfo Graziani

  DOI：10.1016/s0020-1693(00)85393-1

  日期：1989.6

  imine in boiling THF to yield [M(PPh3)2(CO)2 (C3H2NS)NCHC6H4O} ]. The structure of the two isomorphous complexes has been determined by X-ray crystallography based on single- crystal diffractometer data and refined to the final R factor of 0.039 for the Re complex and 0.059 for the Tc complex. The compounds are monoclinic, space group P21/n, with Z=4. Crystal data are: [Re- (PPh3)2(CO)2(L)] (L=Schiff

  摘要[M（PPh3）2（CO）3Cl]（MTc，Re）在沸腾的THF中与席夫碱N-邻羟基苄叉基-2-噻唑亚胺的锂盐反应生成[M（PPh3）2（CO）2 （C3H2NS）NCHC6H4O}]。通过单晶衍射仪数据通过X射线晶体学确定了这两种同构配合物的结构，并将其精制为Re配合物的最终R因子为0.039，Tc配合物的最终R因子为0.059。这些化合物是单斜的，空间群P21 / n，Z = 4。晶体数据为：[Re-（PPh3）2（CO）2（L）]（L =席夫碱配体），a = 17.875（5），b = 24.948（4），c = 9.279（5）A，β = 102.39（3）°；[Tc（PPh 3）2（CO）2（L）]，a ＝ 17.905（5），b ＝ 24.895（4），c ＝ 9.285（6））A，β＝ 102.63（3）°。金属离子是六坐标畸变的八面体，具有反式PPh3，顺式CO基
• Gmelin Handbuch der Anorganischen Chemie, Gmelin Handbook: Tc: SVol.2, 12.9.1, page 124 - 133
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• Marchi, Andrea; Rossi, Roberto; Duatti, Adriano, Inorganic Chemistry, 1985, vol. 24, # 26, p. 4744 - 4748
  作者：Marchi, Andrea、Rossi, Roberto、Duatti, Adriano、Magon, Luciano、Bertolasi, Valeric、Ferretti, Valeria、Gilli, Gastone

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• Gmelin Handbuch der Anorganischen Chemie, Gmelin Handbook: Tc: SVol.2, 12.11.4, page 144 - 151
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• Rossi, Roberto; Marchi, Andrea; Magon, Luciano, Journal of Chemical Research - Part S
  作者：Rossi, Roberto、Marchi, Andrea、Magon, Luciano、Casellato, Umberto、Graziani, Rodolfo

  DOI：——

  日期：——