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718750

BrettPhos Pd G1, Methyl t-Butyl Ether Adduct

97%, solid, may contain up to 1 mole equivalent of MTBE

Synonym(s):

(BrettPhos) palladium(II) phenethylamine chloride, BrettPhos Palladacycle, BrettPhos precatalyst, Chloro[2-(dicyclohexylphosphino)-3,6-dimethoxy-2′,4′, 6′-triisopropyl-1,1′-biphenyl][2-(2-aminoethyl)phenyl]palladium(II)

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About This Item

Empirical Formula (Hill Notation):
C43H63ClNO2PPd
Molecular Weight:
798.81
UNSPSC Code:
12161600
PubChem Substance ID:
329763603
NACRES:
NA.22
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Product Name

BrettPhos Pd G1, Methyl t-Butyl Ether Adduct, may contain up to 1 mole equivalent of MTBE, 97%

Quality Segment

100

product line

Buchwald precatalyst Generation 1

assay

97%

form

solid

feature

generation 1

reaction suitability

core: palladium, reaction type: Buchwald-Hartwig Cross Coupling Reaction, reaction type: Heck Reaction, reaction type: Hiyama Coupling, reaction type: Negishi Coupling, reaction type: Sonogashira Coupling, reaction type: Stille Coupling, reaction type: Suzuki-Miyaura Coupling, reagent type: catalyst
reaction type: Cross Couplings

mp

198-204 °C

functional group

phosphine

SMILES string

COC(C)(C)C.NCCc1ccccc1[Pd]Cl.COc2ccc(OC)c(c2P(C3CCCCC3)C4CCCCC4)-c5c(cc(cc5C(C)C)C(C)C)C(C)C

InChI

1S/C35H53O2P.C8H10N.C5H12O.ClH.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;9-7-6-8-4-2-1-3-5-8;1-5(2,3)6-4;;/h19-25,27-28H,9-18H2,1-8H3;1-4H,6-7,9H2;1-4H3;1H;/q;;;;+1/p-1

InChI key

OWHWOTGYDWMPCA-UHFFFAOYSA-M

General description

BrettPhos Pd G1 is a Buchwald first generation (G1) palladacycle 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. The formation of the active Pd(0) species in the G1 precatalyst is easy to generate, requiring merely a deprotonation with a base. The resulting catalyst is very active, even at temperatures down to −40 °C, and can be used in a variety of cross-coupling protocols.

Application

Application Guide for Palladium Catalyzed Cross-Coupling Reactions

Catalyst for:
  • C,N-cross coupling of unprotected 3-halo-2-aminopyridines with primary and secondary amines
  • Amination reaction
  • N-arylation of aminophenols

pictograms

Exclamation mark
GHS07

signalword

Warning

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

Substances Subject to be Indicated Names

ishl_indicated

Substances Subject to be Notified Names

ishl_notified

718750-1G:4.548174007341E12 + 718750-100MG:4.548174007334E12 + 718750-5G:4.548174007358E12

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