[t-BuBrettPhos Pd(allyl)]OTf

Name: [t-BuBrettPhos Pd(allyl)]OTf
Brand: BOC Sciences
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Molecular Formula:

C35H54F3O5PPdS

Molecular Weight:

781.26

CAS Number:

1798782-15-6

Catalog Number:

BPM-501289

Product Information

Molecular Formula

C35H54F3O5PPdS

Molecular Weight

781.26

Description

[t-BuBrettPhos Pd(allyl)]OTf is a well-defined palladium(II) precatalyst featuring a t-BuBrettPhos ligand and an allyl (prop-2-enyl) palladium(II) core with a trifluoromethanesulfonate (triflate) counterion. It is a highly effective precatalyst for classic cross-coupling reactions such as Suzuki-Miyaura, Buchwald-Hartwig amination, and C-N bond formation. The compound is bench-stable and soluble in most organic solvents. This precatalyst offers excellent functional group tolerance and high catalytic activity, making it a valuable tool in pharmaceutical synthesis and organic chemistry research.

Synonyms

[[3,6-Dimethoxy-2',4',6'-tris(1-methylethyl)[1,1'-biphenyl]-2-yl-κC1']bis(1,1-dimethylethyl)phosphine-κP](η3-2-propen-1-yl)palladium(1+), 1,1,1-trifluoromethanesulfonate (1:1); Palladium(1+), [[3,6-dimethoxy-2',4',6'-tris(1-methylethyl)[1,1'-biphenyl]-2-yl-κC1']bis(1,1-dimethylethyl)phosphine-κP](η3-2-propen-1-yl)-, 1,1,1-trifluoromethanesulfonate (1:1); Pd(allyl)(tBuBrettPhos)]OTf; Trifluoromethanesulfonato2-(di-tert-butylphosphino)-2',4',6'-triisopropyl-3,6-dimethoxybiphenylpalladium(II)(allyl)

IUPAC Name

ditert-butyl-[3,6-dimethoxy-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane;palladium(2+);prop-1-ene;trifluoromethanesulfonate

SMILES

CC(C1=C(C2=C(OC)C=CC(OC)=C2P(C(C)(C)C)C(C)(C)C)C(C(C)C)=CC(C(C)C)=C1)C.O=S(C(F)(F)F)([O-])=O.C=C[CH2-].[Pd+2]

InChI

InChI=1S/C31H49O2P.C3H5.CHF3O3S.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;1-3-2;2-1(3,4)8(5,6)7;/h15-21H,1-14H3;3H,1-2H2;(H,5,6,7);/q;-1;;+2/p-1

InChI Key

UPCRGBMBKBSWPZ-UHFFFAOYSA-M

Purity

98%

Appearance

Light yellow powder

Storage

Store at 2-8 °C, under nitrogen

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[t-BuBrettPhos Pd(allyl)]OTf

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