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(2R,2'R)-(-)-[N,N'-Bis(2-pyridylmethyl]-2,2'-bipyrrolidinebis(acetonitrile)iron(II) hexafluoroantimonate Fe(R,R-PDP) white-chen catalyst

Catalog Number ACM1361315265-1
CAS 1361315-26-5
Synonyms 2-[[(2R)-2-[(2R)-1-(Pyridin-2-ylmethyl)pyrrolidin-2-yl]pyrrolidin-1-yl]methyl]pyridine
IUPAC Name acetonitrile;hexafluoroantimony(1-);iron(2+);2-[[(2R)-2-[(2R)-1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]pyrrolidin-1-yl]methyl]pyridine;
Molecular Weight 931.9
Molecular Formula C24H32F12FeN6Sb2
Canonical SMILES CC#N.CC#N.C1CC(N(C1)CC2=CC=CC=N2)C3CCCN3CC4=CC=CC=N4.F[Sb-](F)(F)(F)(F)F.F[Sb-](F)(F)(F)(F)F.[Fe+2];
InChI InChI=1S/C20H26N4.2C2H3N.12FH.Fe.2Sb/c1-3-11-21-17(7-1)15-23-13-5-9-19(23)20-10-6-14-24(20)16-18-8-2-4-12-22-18;2*1-2-3;;;;;;;;;;;;;;;/h1-4,7-8,11-12,19-20H,5-6,9-10,13-16H2;2*1H3;12*1H;;;/q;;;;;;;;;;;;;;;+2;2*+5/p-12/t19-,20-;;;;;;;;;;;;;;;;;/m1................./s1;
InChI Key XUNWHBGEOCZDBX-QSKJABRXSA-B;
Purity 98%
Appearance Purple powder
Application Metal complex used in the iron-catalyzed, selective oxidation of C-H bonds.
Complexity 444
Covalently-Bonded Unit Count 6
Defined Atom Stereocenter Count 2
Exact Mass 931.993g/mol
Heavy Atom Count 45
Monoisotopic Mass 929.992g/mol
Rotatable Bond Count 5
Topological Polar Surface Area 79.8A^2

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