740845

5-[Di(1-adamantyl)phosphino]-1′,3′,5′-triphenyl-1′H-[1,4′]bipyrazole

97%

• Synonym(s): Ad-BGPhos, 5-[Bis(1-adamantyl)phosphino]-1′,3′,5′-triphenyl-1,4′-bi-1H-pyrazole, Adamantyl-BippyPhos
• Empirical Formula (Hill Notation): C₄₄H₄₇N₄P
• CAS Number: 1239478-87-5
• Molecular Weight: 662.84
• MDL number: MFCD22200502
• UNSPSC Code: 12161600
• PubChem Substance ID: 329765445
• NACRES: NA.22

Properties

• Assay: 97%
• form: solid
• reaction suitability: reagent type: ligand
• mp: 295-300 °C
• storage temp.: 2-8°C
• SMILES string: C1[C@@H]2C[C@@H]3C[C@H]1C[C@](C2)(C3)P(c4ccnn4-c5c(nn(-c6ccccc6)c5-c7ccccc7)-c8ccccc8)[C@@]9%10C[C@@H]%11C[C@@H](C[C@@H](C%11)C9)C%10
• InChI: 1S/C44H47N4P/c1-4-10-36(11-5-1)40-42(41(37-12-6-2-7-13-37)47(46-40)38-14-8-3-9-15-38)48-39(16-17-45-48)49(43-24-30-18-31(25-43)20-32(19-30)26-43)44-27-33-21-34(28-44)23-35(22-33)29-44/h1-17,30-35H,18-29H2/t30-,31+,32-,33-,34+,35-,43-,44-
• InChI key: IHFBOUNFWVRWAQ-GOSCEEDCSA-N

Description

Application

5-[Di(1-adamantyl)phosphino]-1′,3′,5′-triphenyl-1′H-[1,4′]bipyrazole (Ad-BippyPhos) is an effective ligand that catalyzes C-O coupling reactions of aryl and heteroaryl bromides/chlorides with primary aliphatic alcohols. It can also be used as a catalyst in the synthesis of fluorinated anilines by coupling fluoroalkylamines with aryl bromides and chlorides.

Other Notes

Store at 2-8 °C.

Safety Information

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