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| | t-BuBrettPhos Palladacycle Gen. 3 Basic information | | Reaction |
| Product Name: | t-BuBrettPhos Palladacycle Gen. 3 | | Synonyms: | Methanesulfonato(2-(di-t-butylphosphino)-3,6-dimethoxy-2',4',6'-tri-i-propyl-1,1'-biphenyl)(2'-amino-1,1'-biphenyl-2-yl)palladium(II), min. 98%;METHANESULFONATO(2-(DI-T-BUTYLPHOSPHINO)-3,6-DIMETHOXY-2',4',6'-TRI-I-PROPYL-1,1'-BIPHENYL)(2'-AMINO-1,1'-BIPHENYL-2-YL)PALLADIUM(II),DICHLOROMETHANEADDUCT,MIN.98%[T-BUBRETTPHOSPALLADACYCLEGEN.3];t-BuBrettPhos Palladacycle Gen. 3;Methanesulfonato(2-(di-t-butylphosphino)-3,6-dimethoxy-2',4',6'-tri-i-propyl-1,1'-biphenyl)(2'-amino-1,1'-biphenyl-2-yl)palladium(II),[t-BuBrettPhos Palladacycle Gen. 3];Methanesulfonato(2-(di-t-butylphosphino)-3,6-dimethoxy-2',4',6'-tri-i-propyl-1,1'-biphenyl)(2'-amino-1,1'-biphenyl-2-yl)palladium(II), dichloromethane adduct, min. 98%[t-BuBrettPhos Palladacycle Gen.;Methanesulfonato[2-(di-t-butylphosphino)-3,6-dimethoxy-2’,4’,6’-tri-i-propyl-1,1’-biphenyl](2’-amino-1,1’-biphenyl-2-yl)palladium(II);[2'-(amino-κN)[1,1'-biphenyl]-2-yl-κC][[3,6-dimethoxy-2',4',6'-tris(1-methylethyl)[1,1'-biphenyl]-2-yl]bis(1,1-dimethyle;t-butylBrettPhos Palladacycle Gen. 3 | | CAS: | 1536473-72-9 | | MF: | C44H63NO5PPdS- | | MW: | 855.433481 | | EINECS: | | | Product Categories: | Buchwald Ligands&Precatalysts;Buchwald Precatalysts Series;Pd | | Mol File: | 1536473-72-9.mol |  |
| | t-BuBrettPhos Palladacycle Gen. 3 Chemical Properties |
| Melting point | 119-131°C | | storage temp. | under inert gas (nitrogen or Argon) at 2-8°C | | form | solid | | color | brown-green | | InChIKey | VKLHIPFGYVFUGT-UHFFFAOYSA-N | | SMILES | COC1=CC=C(C(P(C(C)(C)C)C(C)(C)C)=C1C2=C(C=C(C=C2C(C)C)C(C)C)C(C)C)OC.NC3=C(C=CC=C3)C4=C(C=CC=C4)[Pd]OS(C)(=O)=O | | CAS DataBase Reference | 1536473-72-9 |
| WGK Germany | 3 | | Storage Class | 11 - Combustible Solids |
| | t-BuBrettPhos Palladacycle Gen. 3 Usage And Synthesis |
| Reaction |
- 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.
| | Uses | tBuBrettPhos Pd G3 has been used as a precatalyst for the N-arylation of amino acid esters with aryl triflates under mild reaction conditions and minimal racemization of the amino acid ester. It may also be used to catalyze the conversion of aryl halides to phenols in the presence of benzaldoxime as a hydroxide surrogate. | | General Description | tBuBrettPhos Pd G3 is a third generation (G3) Buchwald precatalyst that can be used in cross-coupling reactions for the formation of C-C, C–N, C–O, C–F, C–CF3, and C–S bonds. It is air-, moisture-, and thermally-stable and is highly soluble in a wide range of common organic solvents. Some of its unique features include lower catalyst loadings, shorter reaction time, efficient formation of the active catalytic species and accurate control of ligand: palladium ratio. | | reaction suitability | reagent type: catalyst
reaction type: Cross Couplings |
| | t-BuBrettPhos Palladacycle Gen. 3 Preparation Products And Raw materials |
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