tBuBrettPhos Pd G3

Catalog Number	ACM1536473729-1
CAS	1536473-72-9
Structure
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
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.
Exact Mass	854.31994
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	2
Monoisotopic Mass	854.31994
Rotatable Bond Count	10
Topological Polar Surface Area	107 Ų

Q&A

What is the molecular formula of tBuBrettPhos Pd G3?

The molecular formula of tBuBrettPhos Pd G3 is C44H63NO5PPdS.

What is the molecular weight of tBuBrettPhos Pd G3?

The molecular weight of tBuBrettPhos Pd G3 is 855.4 g/mol.

What are the synonyms of tBuBrettPhos Pd G3?

The synonyms of tBuBrettPhos Pd G3 are: [(2-Di-tert-butylphosphino-3,6-dimethoxy-2',4',6'-triisopropyl-1,1'-biphenyl)-2-(2'-amino-1,1'-biphenyl)]palladium(II) methanesulfonate, [2'-(Amino-kappaN)[1,1'-biphenyl]-2-yl-kappaC][[3,6-dimethoxy-2',4',6'-tris(1-methylethyl)[1,1'-biphenyl]-2-yl], and more.

What are the component compounds of tBuBrettPhos Pd G3?

The component compounds of tBuBrettPhos Pd G3 are CID 23938 (Palladium), CID 7015 (2-Aminobiphenyl), CID 6395 (Methanesulfonic Acid), and CID 44233348 (Di-tert-butyl(2',4',6'-triisopropyl-3,6-dimethoxy-[1,1'-biphenyl]-2-yl)phosphine).

When was tBuBrettPhos Pd G3 created?

tBuBrettPhos Pd G3 was created on March 1, 2015.

When was tBuBrettPhos Pd G3 last modified?

tBuBrettPhos Pd G3 was last modified on December 30, 2023.

What is the IUPAC name of tBuBrettPhos Pd G3?

The IUPAC name of tBuBrettPhos Pd G3 is ditert-butyl-[3,6-dimethoxy-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane;methanesulfonic acid;palladium;2-phenylaniline.

What is the InChI of tBuBrettPhos Pd G3?

The InChI of tBuBrettPhos Pd G3 is 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;;.

What is the InChIKey of tBuBrettPhos Pd G3?

The InChIKey of tBuBrettPhos Pd G3 is VKLHIPFGYVFUGT-UHFFFAOYSA-N.

What is the CAS number of tBuBrettPhos Pd G3?

The CAS number of tBuBrettPhos Pd G3 is 1536473-72-9.