CAS 1536473-72-9 tBuBrettPhos Pd G3 - Catalysts / Alfa Chemistry

Synonyms

Ditert-butyl-[3,6-dimethoxy-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane;methanesulfonic acid;palladium;2-phenylaniline

Molecular Weight

855.4

Molecular Formula

C44H63NO5PPdS

Canonical SMILES

CC(C)C1=CC(=C(C(=C1)C(C)C)C2=C(C=CC(=C2P(C(C)(C)C)C(C)(C)C)OC)OC)C(C)C.CS(=O)(=O)O.C1=CC=C([C-]=C1)C2=CC=CC=C2N.[Pd]

InChI

InChI=1S/C31H49O2P.C12H10N.CH4O3S.Pd/c1-19(2)22-17-23(20(3)4)27(24(18-22)21(5)6)28-25(32-13)15-16-26(33-14)29(28)34(30(7,8)9)31(10,11)12;13-12-9-5-4-8-11(12)10-6-2-1-3-7-10;1-5(2,3)4;/h15-21H,1-14H3;1-6,8-9H,13H2;1H3,(H,2,3,4);/q;-1;

InChI Key

VKLHIPFGYVFUGT-UHFFFAOYSA-N

Melting Point

119-131 °C

Purity

98%

Appearance

Solid

Exact Mass

854.31994

Monoisotopic Mass

854.31994

Rotatable Bond Count

Topological Polar Surface Area

107 Å²

MSDS

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COA

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Spec Sheet

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Application

Palladium catalyst used for the arylation of primary amides.

Palladium catalyst used for the synthesis of N-aryl carbamates.

Palladium catalyst used for the N-monoarylation of amidines.

Palladium catalyst used for the cross-coupling of aryl chlorides and triflates with sodium cyanate - a practical synthesis of unsymmetrical ureas.

Palladium catalyst used in the synthesis of imidazo[4,5-b]pyridines and imidazo[4,5]pyrazines through amidation of 2-chloro-3-amino-heterocycles.

Palladium catalyst used in the N-arylation of 2-aminothiazoles

Palladium catalyst used in the synthesis of diarylethers under mild conditions.

Palladium catalyst used in the hydroxylation of aryl and heteroaryl halides.