BrettPhos Pd G3

Catalog Number	ACM1470372598
CAS	1470372-59-8
Structure
Synonyms	Methanesulfonato2-Dicyclohexylphosphino-3,6-dimethoxy-2'-4' -6'-tri-i-propyl-1,1'-bipheny)(2'-amino-1,1'-biphenyl-2-yl)palladium(II)
Molecular Weight	907.5
Molecular Formula	C48H67NO5PPdS
Canonical SMILES	CC(C)C1=CC(=C(C(=C1)C(C)C)C2=C(C=CC(=C2P(C3CCCCC3)C4CCCCC4)OC)OC)C(C)C.CS(=O)(=O)O.C1=CC=C([C-]=C1)C2=CC=CC=C2N.[Pd]
InChI	InChI=1S/C35H53O2P.C12H10N.CH4O3S.Pd/c1-23(2)26-21-29(24(3)4)33(30(22-26)25(5)6)34-31(36-7)19-20-32(37-8)35(34)38(27-15-11-9-12-16-27)28-17-13-10-14-18-28;13-12-9-5-4-8-11(12)10-6-2-1-3-7-10;1-5(2,3)4;/h19-25,27-28H,9-18H2,1-8H3;1-6,8-9H,13H2;1H3,(H,2,3,4);/q;-1;
InChI Key	QUEIWHJXJNGIMT-UHFFFAOYSA-N
Melting Point	150-193 °C
Purity	98%
Appearance	Yellow to beige powder
Complexity	1090
Covalently-Bonded Unit Count	4
Defined Atom Stereocenter Count	0
Exact Mass	906.35124
Heavy Atom Count	57
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	2
Monoisotopic Mass	906.35124
Rotatable Bond Count	10
Topological Polar Surface Area	107 Ų

Q&A

What is the molecular weight of BrettPhos Pd G3?

The molecular weight of BrettPhos Pd G3 is 906.51.

What are the synonyms of BrettPhos Pd G3?

The synonyms of BrettPhos Pd G3 include Methanesulfonato2-Dicyclohexylphosphino-3,6-dimethoxy-2'-4' -6'-tri-i-propyl-1,1'-bipheny)(2'-amino-1,1'-biphenyl-2-yl)palladium(II), and others.

What is the melting point of BrettPhos Pd G3?

The melting point of BrettPhos Pd G3 is 150-193°C.

How should BrettPhos Pd G3 be stored?

BrettPhos Pd G3 should be stored under inert gas (nitrogen or Argon) at 2-8 °C.

What is the color of BrettPhos Pd G3?

BrettPhos Pd G3 is yellow to beige in color.

What is the general description of BrettPhos Pd G3?

BrettPhos Pd G3 is a third generation (G3) Buchwald precatalyst that is air, moisture, and thermally-stable, highly soluble in a wide range of organic solvents, and has a long life in solutions.

What are some uses of BrettPhos Pd G3?

BrettPhos Pd G3 may be used for the C-N coupling reaction between monosubstituted ureas and 1,2 dihaloaromatic system to form benzimidazolones, as well as in the synthesis of various compounds.

In what type of reaction can BrettPhos Pd G3 be used as a catalyst?

BrettPhos Pd G3 can be used as a catalyst in the regioselective synthesis of benzimidazolones via cascade C-N coupling of monosubstituted ureas.

What are some unique features of BrettPhos Pd G3?

Some unique features of BrettPhos Pd G3 include lower catalyst loadings, shorter reaction time, efficient formation of the active catalytic species, and accurate control of ligand: palladium ratio.

How is BrettPhos Pd G3 used in the synthesis of functionalized heterocycles?

BrettPhos Pd G3 is used in a mild and rapid Pd-catalyzed cross-coupling with hydrazine in continuous flow, which can be applied to the synthesis of functionalized heterocycles.