1,1'-Bis(diphenylphosphino)ferrocene Dioxide - CAS 32660-24-5

Catalog:	BB073304
Product Name:	1,1'-Bis(diphenylphosphino)ferrocene Dioxide
CAS:	32660-24-5
Synonyms:	Ferrocene, 1,1'-bis(diphenylphosphinyl)-; 1,1'-Bis(diphenylphosphino)ferrocene dioxide; [cyclopenta-1,3-dien-1-yl(phenyl)phosphoryl]benzene; iron(2+)

Technical Data

IUPAC Name:	[cyclopenta-1,3-dien-1-yl(phenyl)phosphoryl]benzeneiron(2+)
Description:	1,1'-Bis(diphenylphosphino)ferrocene Dioxide is a coordination compound used to complex with various metals and form reagents to be used as catalysts in coupling reactions.
Molecular Weight:	586.38
Molecular Formula:	C34H28FeO2P2
Canonical SMILES:	[CH-]1C=CC=C1P(=O)(C2=CC=CC=C2)C3=CC=CC=C3.[CH-]1C=CC=C1P(=O)(C2=CC=CC=C2)C3=CC=CC=C3.[Fe+2]
InChI:	InChI=1S/2C17H14OP.Fe/c218-19(17-13-7-8-14-17,15-9-3-1-4-10-15)16-11-5-2-6-12-16/h21-14H/q2*-1+2
InChI Key:	CSCOLJZENYWZRC-UHFFFAOYSA-N
References:	Aikawa, K. et al. Org. Lett., 18, 3690 (2016).

Complexity:	298
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	3
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	586.09139
Formal Charge:	0
Heavy Atom Count:	39
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	586.09139
Rotatable Bond Count:	6
Topological Polar Surface Area:	34.1Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0