fac-(1,10-phenanthroline-5,6-dione)Re(I)(CO)3Cl | 165545-33-5

• 英文名称: fac-(1,10-phenanthroline-5,6-dione)Re(I)(CO)3Cl
• 英文别名: fac-[Re(1,10-phenanthroline-5,6-dione)(CO)₃Cl]；fac-[Re(CO)₃(1,10-phenanthroline-5,6-dione)Cl]；fac-[Re(phen-dione)(CO)₃Cl]；fac-[Re(CO)₃(phendione)Cl]；fac-[ClRe(CO)3(1,10-phenanthroline-5,6-dione)]；fac-[Re(CO)3Cl(1,10-phenanthroline-5,6-dione)]
• CAS: 165545-33-5；51878-01-4；677732-95-5
• 化学式: C₁₅H₆ClN₂O₅Re
• 分子量: 515.883
• InChiKey: RWEWGCLCBMVSAT-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：

  fac-(1,10-phenanthroline-5,6-dione)Re(I)(CO)3Cl 在 邻苯二胺 作用下， 以 乙醇 为溶剂， 以81%的产率得到Re(dipyrido[3,2-a:2′,3′-c]phenazine)
  参考文献：
  名称：

  Stoeffler; Thornton; Temkin, Journal of the American Chemical Society, 1995, vol. 117, # 27, p. 7119 - 7128

  摘要：

  DOI：
• 作为产物：
  描述：

  五羰基氯铼(I) 、 1,10-邻二氮杂菲-5,6-二酮 以 甲苯 为溶剂， 以70%的产率得到fac-(1,10-phenanthroline-5,6-dione)Re(I)(CO)3Cl
  参考文献：
  名称：

  在多核苷酸中插入fac -[（4,4'-bpy）Re I（CO）3（dppz）] +，dppz =二吡啶基[3,2-a：2'3'-c]吩嗪。关于Re（I）嵌入剂的紫外可见光物理性质和脉冲辐射分解产生的自由基的氧化还原反应

  摘要：

  多聚体中的fac -[[（4,4'-bpy）Re I（CO）3（dppz）] +（dppz =双吡啶基[3,2-a：2'3'-c]吩嗪）的插入dAdT] 2和poly [dGdC] 2（其中A =腺嘌呤，G =鸟嘌呤，C =胞嘧啶和T =胸腺嘧啶）是络合物吸收和发射光谱变化的主要原因。一个强大的复合聚[DADT] 2个相互作用驱动插过程，其具有结合常数，ķ b 〜1.8×10 5中号-1。被用于电子的氧化还原反应的研究脉冲辐-水溶液，CH 2 OH和N3个˙自由基与嵌入复杂。这些自由基对插入的复合物表现出比对碱更大的亲和力。配基-自由基配合物， fac -[（（4,4'-bpy˙）Re I（CO） 3（dppz）]和fac -[（4,4'-bpy）Re I（CO） 3（dppz˙）]中，通过10e产生-水溶液和CH 2 OH，分别。N 3产生了Re（ II）物种fac -[（4,4'-bpy）Re

  DOI：

  10.1039/b614970g
• 作为试剂：
  描述：

  二氧化碳 在 三乙醇胺 、 fac-(1,10-phenanthroline-5,6-dione)Re(I)(CO)3Cl 、 四乙基氯化铵 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 25.0 ℃ 、100.0 kPa 条件下， 反应 24.0h， 以34 μmol的产率得到一氧化碳
  参考文献：
  名称：

  Photoreduction of CO₂ to CO by a mononuclear Re(i) complex and DFT evaluation of the photocatalytic mechanism

  摘要：

  一种用于制备fac-[Re(phen-dione)(CO)3Cl]并将其应用于光化学还原CO2为CO的新方法已经报道。

  DOI：

  10.1039/c5ra02002f

文献信息

• Spectroscopic characterization of a new Re(<scp>i</scp>) tricarbonyl complex with a thiosemicarbazone derivative: towards sensing and electrocatalytic applications
  作者：Breno L. Souza、Leandro A. Faustino、Fernando S. Prado、Renato N. Sampaio、Pedro I. S. Maia、Antonio Eduardo H. Machado、Antonio Otavio T. Patrocinio

  DOI：10.1039/d0dt01078b

  日期：——

  the first three processes are ascribed to the reduction of the coordinated phet ligand followed by the ReI/0 reduction and consequent Cl− release. The new complex was able to act as an electrocatalyst for CO2 reduction into CO (Eonset = −1.92 V vs. Fc+/Fc), with a turnover frequency of 2.81 s−1 and turnover number of 24 ± 1 in anhydrous acetonitrile, being the first Re(I) tricarbonyl complex with

  这项工作描述了一种新的硫代半脲酮衍生物（Z）-N-乙基-2-（6-氧代-1,10-菲咯啉-5（6 H）-亚烷基）肼基碳硫代酰胺（phet）的制备及其各自的Re（I）三羰基氯配合物fac- [ReCl（CO）3（phet）]。通过稳态和时间分辨技术以及计算计算，对新配合物的光谱，光物理和电化学性质进行了全面研究。在fac- [ReCl（CO）3（phet）]，新的配体通过菲咯啉部分的吡啶环与金属中心配位。弯曲的硫代氨基脲基团的S原子中未结合的电子对诱导了新的低能电子跃迁。因此，由于MLCT Re→phet和IL phet（n→π*）跃迁之间的重叠，在乙腈中观察到的可见光吸收增强到550 nm 。fac- [ReCl（CO）3的吸收带和发射量子产率（[phet]）对质子浓度敏感，这是因为在硫代半碳zone的N原子中存在酸碱平衡。对于新配合物的基态和激发态，质子解离常数分别确定为10.0±0.1和11
• Using picosecond and nanosecond time-resolved infrared spectroscopy for the investigation of excited states and reaction intermediates of inorganic systemsBased on the presentation given at Dalton Discussion No. 6, 9?11th September 2003, University of York, UK.
  作者：Marina K. Kuimova、Wassim Z. Alsindi、Joanne Dyer、David C. Grills、Omar S. Jina、Pavel Matousek、Anthony W. Parker、Peter Portius、Xue Zhong Sun、Michael Towrie、Claire Wilson、Jixin Yang、Michael W. George

  DOI：10.1039/b306303h

  日期：——

  Time-resolved infrared (TRIR) spectroscopy, a combination of UV flash photolysis and fast infrared detection, is a powerful technique for probing excited states and detecting reaction intermediates. In this Perspective we highlight the application of TRIR to excited states by probing the nature of the lowest excited states of fac-[Re(CO)3(dppz-Cl2)(R)]n+ (R = Cl− (n = 0), py (n = 1) and 4-Me2N-py (n

  时间分辨红外（TRIR） 光谱学，紫外线的结合 闪光光解 和快速的红外检测，是探测激发态和检测的强大技术 反应中间体。从这个角度来看，我们通过探测的最低激发态的性质突出TRIR到激发态应用FAC - [的Re（CO）3（dppz-CL 2）（R）] ñ + （R =氯- （Ñ = 0），py（n = 1）和4-Me 2 N-py（n = 1）; dppz-Cl 2 = 11,12-dichlorodipyrido [3,2- a：2'，3'- c ]吩嗪）在CH 3 CN中 [铬（η的表征6 -C 6 H ^ 6）（CO）2的Xe]和[重（η 5 -C 5 H ^5）（CO） 2（C 2 H 6）]在超临界氙气和液体中乙烷 该解决方案举例说明了如何将该技术应用于检测新的有机金属物种。
• Re(I) tricarbonyl complex of 1,10-phenanthroline-5,6-dione: DNA binding, cytotoxicity, anti-inflammatory and anti-coagulant effects towards platelet activating factor
  作者：Michael Kaplanis、George Stamatakis、Vasiliki D. Papakonstantinou、Maria Paravatou-Petsotas、Constantinos A. Demopoulos、Christiana A. Mitsopoulou

  DOI：10.1016/j.jinorgbio.2014.02.003

  日期：2014.6

  The complex fac-[Re(C0)(3)(phendione)C1] (1) (where phendione = 1,10-phenanthroline-5,6-dione) has been synthesized and fully characterized by UV-visible, FUR, and NMR techniques. The DNA binding properties of 1 are investigated by UV-spectrophotometric (melting curves), covalent binding assay, CV (cyclic voltammetry), circular dichroism (CD) and viscosity measurements. Experimental data indicate that 1 fits into the major groove without disrupting the helical structure of the B-DNA in contrast to the free phendione which intercalates within the base pairs of DNA. Upon irradiation, complex 1 promotes the cleavage of plasmid pBR322 DNA from supercoiled form I to nicked form II via a proton coupled electron transfer mechanism. This comes as a result of experimental data in anaerobic/aerobic conditions and in the presence of DMSO. The biological activities of 1 and its precursors [Re(C0)(5)CI] and phendione are tested towards a series of cancerous cell lines as glioblastoma (T98G), prostate cancer (PC3) and breast cancer (MCF-7) as well as platelet activating factor (PAF)-aggregation. Moreover, all the aforementioned compounds are tested for their ability to modulate PAF-basic metabolic enzyme activities in preparations of rabbit leukolytes. The in vitro experiments indicate that phendione has a better antitumor effect than cisplatin whereas [Re(CO)(5)Cl] is a better PAF inhibitor than both the phendione ligand and I. Moreover, for the first time it is indicated that [Re(C0)(5)Cl], with a IC50 of 17 nM is comparable to the widely used PAF receptor antagonists, BN52021 and WEB2170 with IC50 of 30 and 20 nM, respectively, whereas 1 affects PAF-catabolism. (C) 2014 Elsevier Inc. All rights reserved.
• Using Metal Complex Reduced States to Monitor the Oxidation of DNA
  作者：Eric D. Olmon、Michael G. Hill、Jacqueline K. Barton

  DOI：10.1021/ic201511y

  日期：2011.12.5

  Metallointercalating photooxidants interact intimately with the base stack of double-stranded DNA and exhibit rich photophysical and electrochemical properties, making them ideal probes for the study of DNA-mediated charge transport (CT). The complexes [Rh(phi)(2)(bPy')](3+) (phi = 9,10-phenanthrenequinone diimine; bpy' = 4-methyl-4'-(butyric acid)-2,2'-bipyridine), [Ir(ppy),(dppz')](+) (ppy = 2-phenylpyridine; dppz' = 6-(dipyrido [3,2-a:2',3'-c]phenazin-11-yl)hex-5-ynoic acid), and [Re(CO)(3)(dppz)(py')](+) (dppz = dipyrido[2,3-a:2',3'-c]phenazine; py' = 3-(pyridin-4-yl)-propanoic acid) were each covalently tethered to DNA to compare their photooxidation efficiencies. Biochemical studies show that upon irradiation, the three complexes oxidize guanine by long-range DNA-mediated CT with the efficiency: Rh > Re > Ir. Comparison of spectra obtained by spectroelectrochemistry after bulk reduction of the free metal complexes with those obtained by transient absorption (TA) spectroscopy of the conjugates suggests that the reduced metal states form following excitation of the conjugates at 355 nm. Electrochemical experiments and kinetic analysis of the TA decays indicate that the thermodynamic driving force for CT, variations in the efficiency of back electron transfer, and coupling to DNA are the primary factors responsible for the trend observed in the guanine oxidation yields of the three complexes.