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[FeCl2bis(dppbz)]

Catalog Number
ACM101566807-1
Product Name
[FeCl2bis(dppbz)]
CAS
101566-80-7
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Synonyms
101566-80-7;FeCl2(dppbz)2;[FeCl2bis(dppbz)];[FeCl2bis(dppbz)], 95%;DTXSID20649051;1,2-Phenylenebis[diphenyl]phosphine iron complex;Dichloroiron--(1,2-phenylene)bis(diphenylphosphane) (1/2);
IUPAC Name
dichloroiron;(2-diphenylphosphanylphenyl)-diphenylphosphane;
Molecular Weight
1019.67
Molecular Formula
C60H48Cl2FeP4;
Canonical SMILES
C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3P(C4=CC=CC=C4)C5=CC=CC=C5.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3P(C4=CC=CC=C4)C5=CC=CC=C5.Cl[Fe]Cl;
InChI
InChI=1S/2C30H24P2.2ClH.Fe/c2*1-5-15-25(16-6-1)31(26-17-7-2-8-18-26)29-23-13-14-24-30(29)32(27-19-9-3-10-20-27)28-21-11-4-12-22-28;;;/h2*1-24H;2*1H;/q;;;;+2/p-2;
InChI Key
LSSVPSLVWGKHSR-UHFFFAOYSA-L;
Complexity
442
Covalently-Bonded Unit Count
3
Exact Mass
1018.143g/mol
Heavy Atom Count
67
Monoisotopic Mass
1018.143g/mol
Rotatable Bond Count
12
Topological Polar Surface Area
0A^2
Application
[FeCl2bis(dppbz)] serves as a versatile catalyst primarily designed to facilitate various chemical coupling reactions. Its main applications include the Negishi coupling of alkyl halides with arylaluminum reagents, enabling efficient bond formation between these compounds. Additionally, it is utilized in fluoroaromatic coupling reactions, providing a reliable method for constructing fluoroaromatic compounds. Furthermore, the catalyst plays a crucial role in the Negishi coupling of benzyl halides and phosphates, demonstrating its effectiveness across a range of chemical transformations.
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