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Tris(dibenzoylmethanato) Iron
Catalog Number
ACM14405493-1
Product Name
Tris(dibenzoylmethanato) Iron
Structure
![{[CurrentData.Name]}](https://resource.alfachemic.com/structure/14405-49-3.gif)
CAS
14405-49-3
Synonyms
14405-49-3;Tris(dibenzoylmethanato)iron;Iron(III) 1,3-diphenyl-1,3-propanedionate;MFCD00192557;
IUPAC Name
(E)-3-hydroxy-1,3-diphenylprop-2-en-1-one;iron;
Molecular Weight
728.622g/mol
Molecular Formula
C45H36FeO6;
Canonical SMILES
C1=CC=C(C=C1)C(=CC(=O)C2=CC=CC=C2)O.C1=CC=C(C=C1)C(=CC(=O)C2=CC=CC=C2)O.C1=CC=C(C=C1)C(=CC(=O)C2=CC=CC=C2)O.[Fe];
InChI
InChI=1S/3C15H12O2.Fe/c3*16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13;/h3*1-11,16H;/b3*14-11+;;
InChI Key
ZFNORRUERCFEPB-ZYBFZRLBSA-N;
Complexity
994
Covalently-Bonded Unit Count
4
Defined Bond Stereocenter Count
3
Exact Mass
728.186g/mol
H-Bond Acceptor
6
H-Bond Donor
3
Heavy Atom Count
52
Monoisotopic Mass
728.186g/mol
Rotatable Bond Count
9
Topological Polar Surface Area
112A^2
Application
Tris(dibenzoylmethanato) Iron is an organometallic complex specifically utilized for facilitating iron-catalyzed cross-coupling reactions involving unactivated secondary alkyl thio ethers and sulfones with aryl Grignard reagents. Its unique ability to form a redox couple with its Fe(II) counterpart enhances its effectiveness in these processes, making it an essential component in the synthesis applications it supports.
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