306741-69-5

Upstream product

• 306741-65-1 [Fe2(μ-CN(Me)Me2C6H3)(μ-CO)(CO)2(Cp)2]SO3CF3 
• 75-05-8 acetonitrile 

Downstream Products

• 306968-70-7 [Fe2(μ-CN(Me)Me2C6H3)(μ-H)(CO)2(Cp)2] 
• 306741-74-2 [Fe2(μ-CN(Me)Me2C6H3)(μ-CO)(CN)(CO)(Cp)2] 
• 850088-21-0 [Fe2(μ-CN(Me)(2,6-Me2C6H3))(μ-CO)(CO)(NCS)(Cp)2] 
• 850088-25-4 β-[Fe2(μ-CN(Me)(2,6-Me2C6H3))(μ-CO)(CO)(azido))(Cp)2] 
• 850088-25-4 α-[Fe2(μ-CN(Me)(2,6-Me2C6H3))(μ-CO)(CO)(azido))(Cp)2] 

Relevant academic research and scientific papers

Construction of a Functionalized Selenophene-Allylidene Ligand via Alkyne Double Action at a Diiron Complex

The diiron μ-vinyliminium compounds [Fe2Cp2(CO)(μ-CO){μ-η1:η3-C3HC2HC1NMe(R)}]CF3SO3 (R = Me, 2a; R = Xyl = 2,6-C6H3Me2, 2b; Cp = η5-C5H5) reacted with grey selenium, in the presence of sodium methoxide, to give the corresponding Se-functionalized derivatives [Fe2Cp2(CO)(μ-CO){μ-η1:η3-C3HC2(Se)C1NMe(R)}], 3a–b, in ca. 50 % yields. The monoiron zwitterionic complex [FeCp(CO){SeC1(NMe2)C2HC3H}], 4, was obtained as a side-product (31 %) of the reaction leading to 3a. The treatment of 3b with S8/NaOMe afforded the 2-ferra-thiophene [FeCp(CO){SC3HC2HC1NMe(Xyl)}], 5, in 49 % yield. The straightforward reactions of 3a with a two-fold excess of dialkylacetylenedicarboxylates led to functionalized 3-amino-selenophenes appended to the diiron frame through a bridging allylidene ligand, [Fe2Cp2(CO)(μ-CO){μ-η1:η3-C7(CO2R)C6(CO2R)C3HC2SeC5(CO2R)C4(CO2R)C1(NMe2)}] (R = Me, 6a; R = Et, 6b; R = tBu, 6c), in approximately 50 % yields. The synthesis of 6a–c is the result of two distinct modes of reactivity exhibited by the alkyne reactant in one pot, i.e. 1,3-dipolar cycloaddition to C and Se atoms and insertion into Fe-μ-alkylidene. All the products were characterized by means of elemental analysis, IR and multinuclear NMR spectroscopy, and the molecular structure of 6a was elucidated by a single-crystal X-ray diffraction study.

DFT Mechanistic Insights into the Alkyne Insertion Reaction Affording Diiron μ-Vinyliminium Complexes and New Functionalization Pathways

Insertion of propyne or 2-butyne into the Fe-carbyne bond belonging to the fragment [Fe2Cp2(CO)(μ-CO){μ-CNMe(R)}]+ (R = Me or Xyl = 2,6-C6H3Me2) was investigated via density functional theo

Antiproliferative and bactericidal activity of diiron and monoiron cyclopentadienyl carbonyl complexes comprising a vinyl-aminoalkylidene unit

A series of diiron complexes with two cyclopentadienyls, two carbonyls, and one bridging vinyl-aminoalkylidene as ligands, [3a–h]CF3SO3 and [4a–d]CF3SO3, was synthesized in 66–94% yields from diiron μ-aminocarbyne precursors. The subsequent reactions with pyrrolidine led to selective fragmentation to aminoalkylidene-ferracyclopentenone derivatives (5a–h and 6a–c) in 30–84% yields. The compounds were characterized by elemental analysis, Fourier transform infrared and NMR spectroscopy, and by single crystal X-ray diffraction in three cases. The stability in aqueous media relevant to biological trials, the carbon monoxide release, and the catalytic activity in NADH oxidation were evaluated for selected compounds by NMR spectroscopy and gas chromatography. The in vitro antiproliferative activity of the compounds was determined towards cancer (A2780, A2780cisR) and noncancer (HEK-293) cell lines. Moreover, the antibacterial activity was tested on Gram-positive (vancomycin-resistant E. faecium and methicillin-resistant S. aureus) and Gram-negative strains (A. baumannii and P. aeruginosa).

Piano Stool Aminoalkylidene-Ferracyclopentenone Complexes from Bimetallic Precursors: Synthesis and Cytotoxicity Data

The reaction of pyrrolidine with a series of cationic diiron cyclopentadienyl complexes containing a bridging vinyliminium ligand gives access to piano stool monoiron complexes based on a five-membered metallacycle that includes a vinyl-aminoalkylidene mo

Exploring the anticancer potential of diiron bis-cyclopentadienyl complexes with bridging hydrocarbyl ligands: Behavior in aqueous media and in vitro cytotoxicity

A series of diiron complexes based on the [Fe2Cp2(CO)x] skeleton (Cp = η5-C5H5, x = 2, 3; η4-C5H5Ph in place of one Cp in one case) and containing different bridging hydrocarbyl ligands (aminocarbyne, thiocarbyne, allenyl) were preliminarily investigated for their anticancer potential. The water solubility, stability in water and in the presence of a cell culture medium, and octanol/water partition coefficient were evaluated by spectroscopic techniques. The cytotoxicity was assessed in vitro toward the human ovarian carcinoma cell line A2780, the human triple negative breast cancer cell line MDA-MB-231, and the human vascular smooth muscle cell line SMC. Some aminocarbyne complexes exhibited a potent cytotoxicity, with IC50 values in the low micromolar/nanomolar range, and a strong selectivity for the A2780 cells in comparison to the SMC cell line. Several experiments were carried out in order to give insight into the mode of action of selected compounds, including an assessment of catalytic NADH oxidation and ROS production and studies of binding with DNA and with a model protein.

Reactions of acetonitrile di-iron μ-aminocarbyne complexes; synthesis and structure of [Fe2(μ-CNMe2)(μ-H)(CO)2(Cp)2]

The complexes [Fe2{μ-CN(Me)R}(μ-CO)(NCMe)(CO)(Cp)2]SO 3CF3 (R = Me, 2a; 2,6-Me2C6H3, 2b; CH2Ph, 2c), easily obtained from the corresponding [Fe2{μ-CN(Me)R}(μ-CO)(CO)2(Cp)2]SO 3CF3 (1a-c) precursors, react with NBu4CN affording the cyano complexes [Fe2{μ-CN(Me)R}(μ-CO)(CN)(CO)(Cp)2] (3a-c) by displacement of the MeCN ligand. The analogous reaction with NBu4Cl leads to the formation of [Fe2{μ-CN(Me)R}(μ-CO)(Cl)(CO)(Cp)2] (4a-b). The μ-hydride complexes [Fe2{μ-CN(Me)R}(μ-H)(CO)2(Cp)2] (5a-b) have been prepared by reaction of 1a-b with NaBH4. The corresponding diruthenium compound [Ru2(μ-CNMe2)(μ-H)(CO)2(Cp)2] (6) has been similarly obtained from [Ru2(μ-CNMe2)(μ-CO)(NCMe) (CO)(Cp)2]SO3CF3. The X-ray molecular structure of 5a is that expected for cis isomers of this family of compounds. It shows a chiral conformation of the C5H5 ligands and the crystals are a conglomerate of enantiomeric individuals. NMR spectra of the various compounds, which are indicative of the presence of α-α or cis-trans isomeric mixtures, are reported and discussed.