791016

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
• Empirical Formula (Hill Notation): C₃₁H₄₉OP
• CAS Number: 1262046-34-3
• Molecular Weight: 468.69
• MDL number: MFCD20922895
• UNSPSC Code: 12352112
• PubChem Substance ID: 329768254
• NACRES: NA.22

Properties

• 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

Description

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]

Safety Information

• Storage Class Code: 11 - Combustible Solids
• WGK: WGK 3
• Flash Point(F): Not applicable
• Flash Point(C): Not applicable