Bis(phenylthio)diiron hexacarbonyl

Base Information

• Chemical Name: Bis(phenylthio)diiron hexacarbonyl
• CAS No.: 15634-63-6
• Molecular Formula: C18H10 Fe2 O6 S2
• Molecular Weight: 498.1
• Mol file: 15634-63-6.mol

Synonyms:Di.mu.-benzenethiolato-hexacarrbonyl diiron;Bis(phenylthio)diiron hexacarbonyl;Iron, bis[.mu.-(benzenethiolato)]hexacarbonyldi-, (Fe-Fe);QBIHDTGGXHLJSB-UHFFFAOYSA-N;15634-63-6

Chemical Property of Bis(phenylthio)diiron hexacarbonyl

Chemical Property:

• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 2
• Exact Mass: 497.861751
• Heavy Atom Count: 28
• Complexity: 328

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: [C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].C1=CC=C(C=C1)[S-].C1=CC=C(C=C1)[S-].[Fe].[Fe]

Technology Process of Bis(phenylthio)diiron hexacarbonyl

There total 44 articles about Bis(phenylthio)diiron hexacarbonyl which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 79.0%

triiron dodecarbonyl (17685-52-8) + (triphenylphosphine)gold(I) chloride (14243-64-2) + thiophenol (108-98-5) → {PhSFe(CO)3}2 (15634-63-6) + {hexacarbonyl(μ-carbonyl)(μ-phenylthiolato)(μ-gold(triphenylphosphine))diiron}

Guidance literature:

With (C₂H₅)3N; TlBF₄; In tetrahydrofuran; (under N2); a mixture of Fe3(CO)12, Et3N and the thiol in THF is stirred for 10 min at room temp., addn. of ClAuPPh3 and TlBF4, stirred for 2 h at room temp.; filtration, removal of the solvents in vac., chromy. of the residue, elem. anal. of the Fe2Au-cluster;

DOI:10.1016/0022-328X(93)80396-S

Reference yield: 73.0%

triiron dodecarbonyl (17685-52-8) + bis(methanethiolato)mercury(II) (21094-80-4) + thiophenol (108-98-5) → {PhSFe(CO)3}2 (15634-63-6) + Fe2(μ-SCH3)(μ-SPh)(CO)6

Guidance literature:

With (C₂H₅)3N; In tetrahydrofuran; byproducts: Hg, CO; (N2); Fe3(CO)12, PhSH and Et3N stirred for 30 min at room temp., Hg(SCH3)2 added, stirred for 2 h at room temp.; solvent removed in vacuo, filtration chromy. (pentane and pentane/CH2Cl2 (9/1)); NMR;

Reference yield: 70.0%

iron pentacarbonyl (13463-40-6,37220-42-1) + bis(phenylthio)methane (3561-67-9) → {PhSFe(CO)3}2 (15634-63-6)

Guidance literature:

In not given; Irradiation (UV/VIS); under N2, soln. of Fe(CO)5 and PhSCH2SPh irradiated (2 h), mixt. refluxed (150°C, 1 h), thereafter refluxed and irradiated simultaneously (1 h), cooled; evapn., soln. in THF, filtration (Al2O3, Na2SO4), evapn., chromy. (SiO2, -10°C, hexane), red zone collected, stripped of solvent, crystn. (hexane);

DOI:10.1016/S0020-1693(00)83447-7

upstream raw materials:

tetrahydrofuran

triiron dodecarbonyl

[Fe2(μ-CO)(μ-CC6H5)(CO)2(η-C5H5)2][BBr4]

thiophenol

Downstream raw materials:

(Fe(SC₆H₅)(CH₃CN)5)⁽¹⁺⁾*1PF₆^(1-)=(Fe(SC₆H₅)(CH₃CN)5)(PF₆)

[Fe(CO)3I(SC₆H₅)]2