903513-80-4

Basic information

• Product Name: [(4-n-BuSeC6H4C6H4Se-μ-4')(μ-SCSMe)Fe2(CO)6]
• CAS NO: 903513-80-4
• Molecular Weight: 738.165
• Mol File: 903513-80-4.mol

Chemical Properties

• CAS DataBase Reference: [(4-n-BuSeC6H4C6H4Se-μ-4')(μ-SCSMe)Fe2(CO)6](CAS DataBase Reference)
• NIST Chemistry Reference: [(4-n-BuSeC6H4C6H4Se-μ-4')(μ-SCSMe)Fe2(CO)6](903513-80-4)
• EPA Substance Registry System: [(4-n-BuSeC6H4C6H4Se-μ-4')(μ-SCSMe)Fe2(CO)6](903513-80-4)

Safety Data

• Hazardous Substances Data: 903513-80-4(Hazardous Substances Data)

Upstream product

• 75-15-0 carbon disulfide 
• 7782-49-2 selenium 
• 109-72-8 n-butyllithium 
• 17685-52-8 triiron dodecarbonyl 
• 92-86-4 4-(4-bromophenyl)bromobenzene 

Relevant articles and documents

Synthetic and structural investigations on double- and single-butterfly Fe/E (E = S, Se) cluster complexes containing diselenolate ligands

The first examples of diselenolate ligand-containing butterfly Fe/E (E = S, Se) complexes are now reported. When ca. 1 equiv of dilithium reagent 4-LiC6H4C6H4Li-4′ containing n-BuBr (prepared from 1 equiv of 4,4′-dibromobiphenyl and n-BuLi) was treated with 2 equiv of elemental selenium and Fe3-(CO)12 followed by treatment with excess CS2 and Mel, both double-butterfly complex (4-μ-SeC6H4C4H4-Se-μ- 4′)[(μ-S=CSMe)Fe2(CO)6]2 (4) and single-butterfly complex (4-n-BuSeC6H4C6H 4Se-μ-4′)[(μ-S= CSMe)Fe2(CO)6] (4*) were produced in 11% and 20% yields, respectively. However, when ca. 1 equiv of dilithium reagent 4-LiC6H4C6H 4Li-4′ without n-BuBr (n-BuBr was removed by evaporation of the initially prepared dilithium reagent containing n-BuBr) reacted with 2 equiv of elemental selenium and Fe3(CO)12 followed by treatment with excess CS2 and Mel, only the double-butterfly complex 4 was obtained in a higher yield (21%) without any single-butterfly complex being isolated. Other double-butterfly complexes, such as (4-μ-SeC 6H4C6H4Se-μ-4′)[(μ-S= CSR)Fe2(CO)6]2 (5, R = Et; 6, PhCH2; 7, PhC=NPh; 8, Cp(CO)2Fe), (4-μ-SeC6H 4C6H4Se-μ-4′)[(μ-SePh)Fe 2(CO)6]2 (9), and (4-μ-SeC6H 4C6H4Se-μ-4′)[(μ-CH 2SMe)Fe2(CO)6]2 (10), could be similarly prepared via the latter method by using electrophiles CS 2/EtBr, CS2/PhCH2Br, CS2/PhC(Cl)= NPh, CS2/Cp(CO)2FeI, PhSeBr, and MeSCH2Cl instead of CS2/MeI, respectively. A possible pathway for production of the double- and single-butterfly complexes 4-10 and 4* has been proposed, in which the versatile two-μ-CO-containing double-butterfly dianion (4-μ-SeC6H4C6H4Se-μ-4′) [(μ-CO)Fe2(CO)6]22- (3) and the one-μ-CO-containing single-butterfly monoanion (4-n-BuSeC6H 4C6H4Se-μ-4′)[(μ-CO)Fe 2(CO)6]- (3*) are involved. All the new complexes were fully characterized by elemental analysis and spectroscopy, as well as by X-ray crystallography for 4* and 10.