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Merck

791016

Sigma-Aldrich

RockPhos

97%

Synonym(s):

2-Di(tert-butyl)phosphino-2′,4′,6′-triisopropyl-3-methoxy-6-methylbiphenyl, Di-tert-butyl(2′,4′,6′-triisopropyl-3-methoxy-6-methyl-[1,1′-biphenyl]-2-yl)phosphine

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About This Item

Empirical Formula (Hill Notation):
C31H49OP
CAS Number:
Molecular Weight:
468.69
MDL number:
UNSPSC Code:
12352112
PubChem Substance ID:
NACRES:
NA.22

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Quality Level

Assay

97%

form

solid

reaction suitability

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: ligand
reaction type: Cross Couplings

mp

121-131 °C

functional group

phosphine

storage temp.

15-25°C

SMILES string

CC1=C(C2=C(C(C)C)C=C(C(C)C)C=C2C(C)C)C(P(C(C)(C)C)C(C)(C)C)=C(OC)C=C1

InChI

1S/C31H49OP/c1-19(2)23-17-24(20(3)4)28(25(18-23)21(5)6)27-22(7)15-16-26(32-14)29(27)33(30(8,9)10)31(11,12)13/h15-21H,1-14H3

InChI key

CVLLAKCGAFNZHJ-UHFFFAOYSA-N

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This Item
RAD132RAD169RAD141
packaging

pk of 20

packaging

pk of 20

packaging

pk of 20

packaging

pkg of 20 ea

manufacturer/tradename

Radiello

manufacturer/tradename

Radiello

manufacturer/tradename

Radiello

manufacturer/tradename

Radiello

matrix

microporous PE tube with 4,4′-dipyridylethylene coated silica

matrix

SS net with mix of mol sieve and activated charcoal (30-50 mesh)

matrix

SS net with silica gel (100-400 μm particle size)

matrix

SS net packed with Carbopack X

application(s)

air monitoring
environmental
industrial hygiene

application(s)

air monitoring
environmental
industrial hygiene

application(s)

air monitoring
environmental
industrial hygiene

application(s)

air monitoring
environmental
industrial hygiene

compatibility

for sampling Ozone (O3)

compatibility

for sampling Anaesthetic Gases/Vapors

compatibility

for sampling HCl

compatibility

for sampling 1,3-Butadiene and Isoprene

Application

RockPhos is a biphenyl-based phosphine ligand used with Pd(0) catalyst for carbon-carbon and carbon-heteroatom bond formation reactions.[1][2]
It can also be employed in the:
  • 2-fluroethoxylation of bromo-chalcones in the presence of palladium catalyst.[2]
  • Conversion of aryl chlorides into aryl methoxides using RockPhos Pd G3 as a catalyst.[3]

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable


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An Improved Synthesis of BrettPhos-and RockPhos-Type Biarylphosphine Ligands
Hoshiya N and Buchwald SL
advanced synthesis and catalysis, 354(10), 2031-2037 (2012)
An Improved Synthesis of BrettPhos-and RockPhos-Type Biarylphosphine Ligands
Hoshiya N and Buchwald SL
Advanced Synthesis & Catalysis, 354(10), 2031-2037 (2012)
A general and efficient Pd-catalyzed rapid 2-fluoroethoxylation of bromo-chalcones
Rangarajan TM, et al.
Journal of Fluorine Chemistry, 186(10), 101-110 (2016)
P-chlorobenzyl ether: A p-methoxybenzyl ether in disguise
Viuff AH, et al.
Organic Letters, 18(22), 5773-5775 (2016)

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