Basic information Reaction Safety Supplier Related

BrettPhos Pd G3

Basic information Reaction Safety Supplier Related

BrettPhos Pd G3 Basic information

Product Name:
BrettPhos Pd G3
Synonyms:
  • Methanesulfonato2-Dicyclohexylphosphino-3,6-dimethoxy-2'-4' -6'-tri-i-propyl-1,1'-bipheny)(2'-amino-1,1'-biphenyl-2-yl)palladium(II)
  • BrettPhos Pd G3 95%
  • [2'-(Amino)[1,1'-biphenyl]-2-yl][dicyclohexyl[3,6-dimethoxy-2',4',6'-tris(1-methylethyl)[1,1'-biphenyl]-2-yl]phosphine](methanesulfonato)palladium
  • Methanesulfonato(2-dicyclohexylphosphino-3,6-dimethoxy-2',4',6'-tri-i-propyl-1,1'-biphenyl)(2'-amino-1,1'-biphenyl-2-yl)palladiu
  • [2'-(Amino-κN)[1,1'-biphenyl]-2-yl-κC][dicyclohexyl[3,6-dimethoxy-2',4',6'-tris(1-methylethyl)[1,1'-biphenyl]-2-yl]phosphine-κP](methanesulfonato-κO)palladium
  • Methanesulfonato(2-dicyclohexylphosphino-3,6-diMethoxy-2',4',6'-tri-i-propyl-1,1'-biphenyl)(2'-aMino-1,1'-biphenyl-2-yl)palladiuM(II), Min. 98% [BrettPhos Palladacycle]
  • Methanesulfonato(2-dicyclohexylphosphino-3,6-diMethoxy-2',4',6'-tri-i-propyl-1,1'-biphenyl)(2'-aMino-1,1'-biphenyl-2-yl)palladiuM(II), Min. 98%
  • BrettPhos Pd G3
CAS:
1470372-59-8
MF:
C48H66NO5PPdS
MW:
906.51
Product Categories:
  • Buchwald Ligands&Precatalysts
  • Buchwald Precatalysts Series
  • Pd
Mol File:
1470372-59-8.mol
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BrettPhos Pd G3 Chemical Properties

Melting point:
150-193°C (decomposition)
storage temp. 
under inert gas (nitrogen or Argon) at 2–8 °C
form 
Powder
color 
yellow to beige
InChI
InChI=1S/C35H53O2P.C12H9N.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;1-6,8-9,13H;1H3,(H,2,3,4);/q;-2;;+2
InChIKey
ASZHREKEHVNFFW-UHFFFAOYSA-N
SMILES
P(C1CCCCC1)(C1CCCCC1)(C1C(=CC=C(OC)C=1C1C(=CC(C(C)C)=CC=1C(C)C)C(C)C)OC)[Pd+2]1(NC2=CC=CC=C2C2=CC=CC=[C-]12)[O-]S(=O)(=O)C
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Safety Information

WGK Germany 
3
HS Code 
2843909000
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BrettPhos Pd G3 Usage And Synthesis

Reaction

  1. Catalyst used in the regioselective synthesis of benzimidazolones via cascade C-N coupling of monosubstituted ureas.
  2. Catalyst used in a mild and rapid Pd-catalyzed cross-coupling with hydrazine in continuous flow .applications to the synthesis of functionalized heterocycles.

Uses

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)Cl by reacting with [(allyl)PdCl]2.

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.


BrettPhos Pd G3Supplier

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