[(1,4,7-triazacyclononane)Re(CO)3]Br | 101566-53-4

• 英文名称: [(1,4,7-triazacyclononane)Re(CO)3]Br
• 英文别名: [Re(CO)3(1,4,7-triazacyclononane)]Br；fac-[(1,4,7-triazacyclononane)Re(CO)3]Br
• CAS: 101566-53-4
• 化学式: Br*C₉H₁₅N₃O₃Re
• 分子量: 479.347
• InChiKey: AQCSMIWDAQMOTP-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
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• 可旋转键数：
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• 环数：
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• sp3杂化的碳原子比例：
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• 拓扑面积：
  None
• 氢给体数：
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• 氢受体数：
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反应信息

• 作为反应物：
  描述：

  [(1,4,7-triazacyclononane)Re(CO)3]Br 在 HNO₃ 作用下， 以 硝酸 为溶剂， 以43%的产率得到{(1,4,7-triazacyclononane)ReO3}ReO4
  参考文献：
  名称：

  Wieghardt, Karl; Pomp, Christa; Nuber, Bernhard, Inorganic Chemistry, 1986, vol. 25, # 10, p. 1659 - 1661

  摘要：

  DOI：
• 作为产物：
  描述：

  五羰基溴铼(I) 、 1,4,7-三氮杂环壬烷 以 N,N-二甲基甲酰胺 为溶剂， 以65%的产率得到[(1,4,7-triazacyclononane)Re(CO)3]Br
  参考文献：
  名称：

  Wieghardt, Karl; Pomp, Christa; Nuber, Bernhard, Inorganic Chemistry, 1986, vol. 25, # 10, p. 1659 - 1661

  摘要：

  DOI：

文献信息

• Ligand-mediated decarbonylation as an efficient synthetic method to Re(i) and Re(ii) dicarbonyl complexes
  作者：Fabio Zobi、Bernhard Spingler、Roger Alberto

  DOI：10.1039/b811766g

  日期：——

  A novel synthetic method based on a ligand-mediated decarbonylation reaction of complexes of the common fac-[Re(CO)3]+ core efficiently yields Re(I) and Re(II) dicarbonyl species.

  一种新型合成方法基于常见fac-[Re(CO)3]+核心的配体介导去羰基化反应，能高效地产生Re(I)和Re(II)二羰基物种。
• Formation and Reactivity of [(tacn)-N-CO-Re^IIIBr(CO)₂]⁺ in Water: a Theoretical and Experimental Study
  作者：Fabio Zobi、Olivier Blacque、Gideon Steyl、Bernhard Spingler、Roger Alberto

  DOI：10.1021/ic9002803

  日期：2009.6.1

  previously communicated, is characterized by an unusual three-membered ring acyl amide bond. Complex 2 is stable as a solid but is reactive in aqueous solution. Under basic conditions (1 M NaOH), reductive decarbonylation was observed, and the bis-carbonyl complex [(tacn)ReI(CO)2Br] (3) was obtained in quantitative yield. The Br− ligand in 3 could be replaced by CN−, giving the neutral complex [(tacn)ReI(CO)2(CN)]

  [（TAcn）-N-CO-Re III（CO）2 Br] X（X = Cl或Br）的化学反应，是通过fac -[（TAcn）Re I（CO）3 ]的反应以高收率获得的描述了Br（1，TAcn = 1,4,7-三氮杂环壬烷）与X 2的水溶液。的[（TACN）-N-CO-Re的III（CO）2 BR] X配合物（2与X = Br的- ;图2a，其中X =氯化溴2 - ），其我们先前传送的，其特点是一个不寻常的三元环酰基酰胺键。复杂2作为固体稳定，但在水溶液中有反应性。在碱性条件（1 M NaOH）下，观察到还原性脱羰基作用，并以定量收率获得了双羰基络合物[（TAcn）Re I（CO）2 Br]（3）。该溴-配体3可以由CN取代- ，给予中性配合物[（TACN）重新我（CO）2（CN）]（4）。在酸性介质（1 M HBr）中，络合物2部分转化为单羰基μ-氧代桥联双核络合物[（TAcn）Re III（CO）Br]
• Pomp, Christa; Drueeke, Stefan; Kueppers, Heinz-Josef, Zeitschrift fur Naturforschung, B: Chemical Sciences, 1988, vol. 43, # 3, p. 299 - 305
  作者：Pomp, Christa、Drueeke, Stefan、Kueppers, Heinz-Josef、Wieghardt, Karl、Krueger, Carl、et al.

  DOI：——

  日期：——
• Assessment of Macrocyclic Triamine Ligands As Synthons for Organometallic ^99mTc Radiopharmaceuticals
  作者：Keisuke Suzuki、Naomi Shimmura、Khajadpai Thipyapong、Tomoya Uehara、Hiromichi Akizawa、Yasushi Arano

  DOI：10.1021/ic7019654

  日期：2008.4.1

  In a search of coordination molecules suitable to the fac-(Tc-99m(Co)(3)}(+) core as a synthon for Tc-99m-radiopharmaceuticals, nonradioactive rhenium complexes of two macrocyclic triamine compounds with different chelate ring structures, 1,4,7-triazacyclononane (9N3) and 1,5,9-triazacyclododecane (12N3), were synthesized and characterized. Tc-99m-labeled 9N3 and 12N3 compounds were also prepared using [Tc-99m-(OH2)(3)(CO)(3)](+) and were characterized by both in vitro and in vivo studies. 9N3 produced a single rhenium complex, Whereas 12N3 generated two major complexes. The crystallographic data and infrared absorption wavenumber assigned to the C-O stretch suggested that the coordination geometry of 9N3 would be more suitable to fac-Re(CO)(3)}(+) than that of 12N3. In contrast, both 9N3 and 12N3 provided a single Tc-99m-labeled compound, However Tc-99m-labeled 9N3 exhibited higher stability than Tc-99m-labeled 12N3 in rat plasma and in the presence of histidine at an elevated temperature. In biodistribution studies, both Tc-99m-labeled compounds did not show any specific accumulation of radioactivity in any organs except for the excretory organs such as the liver and kidney. These findings showed that 9N3 would constitute a macrocyclic chelating molecule of choice to prepare Tc-99m radiopharmaceuticals using a fac-Tc-99m(CO)(3)}(+) core.