BRETTPHOS PD G3 95% (C005B-018727)

General description

BrettPhos Pd G3 is a third generation (G3) Buchwald precatalyst. It is air, moisture and thermally-stable and is highly soluble in a wide range of common organic solvents. It has long life in solutions. BrettPhos Pd G3 is an excellent reagent for Buchwald-Hartwig cross-coupling reaction. 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.

Application

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

• [Pd(cinnamyl)(BrettPhos)]OTf by reacting with [(cinnamyl)PdCl]₂ and AgOTf.
• [Pd(crotyl)(BrettPhos)]OTf by reacting with [(crotyl)PdCl]₂ and AgOTf.
• [Pd(allyl)(BrettPhos)]OTf by reacting with [(allyl)PdCl]2 and AgOTf.
• Pd(allyl)(BrettPhos)Clby reacting with [(allyl)PdCl]₂.

For small scale and high throughput uses, product is also available as ChemBeads (928321)

Molecular Weight: 906.50. Empirical Formula: C₄₈H₆₆NO₅PPdS. Quality Level: 100. Assay: 98%. form: solid. feature: generation 3. reaction suitability: reaction type: Buchwald-Hartwig Cross Coupling Reaction, reagent type: catalyst
core: palladium
reaction type: Cross Couplings. mp: 150-193 . °C (decomposition). functional group: amine. SMILES string: CS(: O)(O[Pd]c1c(c2c(N)cccc2)cccc1): O.COc3c(P(C4CCCCC4)C5CCCCC5)c(c6c(C(C)C)cc(C(C)C)cc6C(C)C)c(OC)cc3. 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/p-1. InChI key: PQYBJDCHLVJYSD-UHFFFAOYSA-M. Storage Class Code: 11 - Combustible Solids. WGK: WGK 3. Flash Point(F): Not applicable. Flash Point(C): Not applicable.