(Acetonitrile)[(2-biphenyl)di-tert-butylphosphine]gold(I) hexafluoroantimonate

Catalog Number	ACM866641669-1
CAS	866641-66-9
Structure
Synonyms	Acetonitrile;ditert-butyl-(2-phenylphenyl)phosphane;gold(1+);hexafluoroantimony(1-)
IUPAC Name	acetonitrile;ditert-butyl-(2-phenylphenyl)phosphane;gold(1+);hexafluoroantimony(1-);
Molecular Weight	772.2
Molecular Formula	C22H30AuF6NPSb
Canonical SMILES	CC#N.CC(C)(C)P(C1=CC=CC=C1C2=CC=CC=C2)C(C)(C)C.F[Sb-](F)(F)(F)(F)F.[Au+]
InChI	InChI=1S/C20H27P.C2H3N.Au.6FH.Sb/c1-19(2,3)21(20(4,5)6)18-15-11-10-14-17(18)16-12-8-7-9-13-16;1-2-3;/h7-15H,1-6H3;1H3;6*1H;/q;+1;+5/p-6
InChI Key	ADQOZROJMVWPRI-UHFFFAOYSA-H
Melting Point	198-203 °C
Purity	99%
Appearance	Powder
Application	Gold catalyst used in the regio-and stereoselective synthesis of functionalized benzo[b]oxepines. Gold catalyst used in the cyclization reactions of o-(buta-1,3-diyn-1-yl-)-substituted N-aryl ureas. Gold catalyst used in the cycloisomerization of 1,7-enyne esters to structurally diverse cis-tetrahydropyridin-4-yl ketones. Catalyst used in the synthesis of coumarin-containing natural products. Catalyst used in the synthesis of benzo[4,5]imidazo[1,2-a]quinazolinones.
Complexity	392
Covalently-Bonded Unit Count	4
Exact Mass	771.07239
Heavy Atom Count	32
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	0
Monoisotopic Mass	771.07239
Rotatable Bond Count	4
Topological Polar Surface Area	23.8 Ų