[Cp*^n-propylIrCl]₂(μ²-Cl)₂ | 1351364-06-1

• 分子结构分类: 有机化合物
• 英文名称: [Cp*^n-propylIrCl]₂(μ²-Cl)₂
• 英文别名: [^PrCp*IrCl(μ-Cl)]₂；[(Cp^*propyl)IrCl₂]₂；iridium(3+);1,2,3,4-tetramethyl-5-propylcyclopenta-1,3-diene;tetrachloride
• CAS: 1351364-06-1
• 化学式: C₂₄H₃₈Cl₄Ir₂
• 分子量: 852.818
• InChiKey: WHCSNLLICGZEBL-UHFFFAOYSA-J

计算性质

• 辛醇/水分配系数(LogP)：
  -4.81
• 重原子数：
  30
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.58
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  2-吡啶甲酸 、 [Cp*^n-propylIrCl]₂(μ²-Cl)₂ 在 sodium methylate 作用下， 以 甲醇 为溶剂， 反应 3.0h， 以76%的产率得到[^PrCp*Ir(2-pyridinecarboxylate)Cl]
  参考文献：
  名称：

  Modulating the water oxidation catalytic activity of iridium complexes by functionalizing the Cp*-ancillary ligand: hints on the nature of the active species

  摘要：

  一项关于一系列具有改性Cp*配体的铱二聚WOCs行为的比较研究揭示了可变取代基发挥的关键作用。

  DOI：

  10.1039/d0cy02306j
• 作为产物：
  描述：

  bis(1,5-cyclooctadiene)diiridium(I) dichloride 、 四甲基(正丙基)环戊二烯 在 盐酸 作用下， 以 甲醇 为溶剂， 115.0 ℃ 、1.03 MPa 条件下， 反应 1.0h， 以61%的产率得到[Cp*^n-propylIrCl]₂(μ²-Cl)₂
  参考文献：
  名称：

  快速获得衍生化的二聚环取代的二氯（环戊二烯基）铑（III）和铱（III）配合物

  摘要：

  The present work describes the design and synthesis of a series of rhodium and iridium dimers [(eta(5)-ring)MCl](2)(mu(2)-Cl)(2) (where (eta(5)-ring)MCl = (eta(5)-Me4C5R)Rh(III)Cl or (eta(5)-Me4C5R)Ir(III)Cl) using a new and efficient 1 h procedure. Rhodium and iridium dimeric complexes were synthesized via a microwave reaction. The modified HMe4C5R (R = isopropyl, n-butyl, isobutyl, sec-butyl, n-pentyl, n-hexyl, n-heptyl, n-octyl, phenyl, benzyl, phenethyl, cyclohexyl, and cyclopentyl) type ligands were synthesized by reaction of 2,3,4,S-tetramethylcyclopent-2-en-1-one with the respective Grignard reagent (RMgX), followed by elimination of water under acidic conditions to produce the tetramethyl(alkyl or aryl)cyclopentadienes in moderate to excellent yields (40-98%). Reaction of the HMe4C5R ligands with [M(COD)](mu(2)-Cl)(2) (M = Rh, Ir; COD = 1,S-cyclooctadiene) gave the dimeric complexes [(eta(5)-Me4C5R)MCl](2)(mu(2)-Cl)(2) in yields ranging from 47% to 96%. The derivatized dimers were tested for antimicrobial activity, showing activity against Mycobacterium smegmatis and improved activity with derivatized R groups against Staphylococcus aureus and MRSA 43300. The characterization of these complexes was completed by NMR spectroscopy, single-crystal X-ray diffraction, high-resolution mass spectrometry, and elemental analysis.

  DOI：

  10.1021/acs.organomet.6b00580

文献信息

• [EN] NOVEL IRIDIUM/RHODIUM ANTI-CANCER COMPOUNDS<br/>[FR] NOUVEAUX COMPOSÉS ANTICANCÉREUX CONTENANT DE L'IRIDIUM/RHODIUM
  申请人：UNIV WARWICK

  公开号：WO2011148124A1

  公开（公告）日：2011-12-01

  The present invention relates to novel iridium and/or rhodium containing complexes for use as a cytotoxic, such as an anti-cancer agent. There is also provided a method of preparing said compounds.

  本发明涉及用作细胞毒性物质，如抗癌药物的新型含铱和/或铑配合物，还提供了一种制备所述化合物的方法。
• Synthesis, Characterization, and Antimicrobial Activity of Rh^III and Ir^III β-Diketonato Piano-Stool Compounds
  作者：Christine M. DuChane、Loren C. Brown、Virginia S. Dozier、Joseph S. Merola

  DOI：10.1021/acs.organomet.7b00742

  日期：2018.2.26

  IrIII half-sandwich compounds of the type [(η5-Cp*R)M(β-diketonato)Cl] were synthesized and characterized, including 17 X-ray crystallographic structures. In general, the complexes were synthesized in short reaction times and in good yield. The antimicrobial properties of these complexes were tested against a variety of microbes, and several complexes were found to have good activity against Mycobacterium

  一系列的Rh的III和Ir III的类型的半夹心化合物[（η 5 -Cp * - [R）M（β-二酮盐）CL]被合成和表征，其中包括17 X射线晶体结构。通常，以短的反应时间和良好的产率合成配合物。测试了这些复合物对多种微生物的抗菌性能，发现几种复合物对耻垢分枝杆菌具有良好的活性。
• Synthesis, Characterization, and Antimicrobial Activity of Rh^III and Ir^III N-Heterocyclic Carbene Piano-Stool Complexes
  作者：Chad M. Bernier、Christine M. DuChane、Justin S. Martinez、Joseph O. Falkinham、Joseph S. Merola

  DOI：10.1021/acs.organomet.1c00166

  日期：2021.6.14

  and IrIII piano-stool complexes of the form [(η5-Cp*R)M(NHC)Cl2] was synthesized and characterized, including 12 X-ray crystallographic structures. The antimicrobial properties of these complexes were screened against a variety of microbes, with several achieving high activities, most notably against Mycobacterium smegmatis (MICs as low as 0.45 μM). In general, the Rh complexes were more potent than

  合成并表征了一系列[(η 5 -Cp* R )M(NHC)Cl 2 ]形式的 Rh III和 Ir III钢琴-凳配合物，包括 12 个 X 射线晶体结构。这些复合物的抗菌特性针对多种微生物进行了筛选，其中几种实现了高活性，最显着的是针对耻垢分枝杆菌（MIC 低至 0.45 μM）。一般来说，Rh 复合物比它们的 Ir 类似物更有效，并且活性随着 Cp* R和 NHC 配体的疏水性而增加。