XPhos
2-Dicyclohexylphosphino-2',4',6'-triisopropylbiphenyl
Also Known As: 2-Dicyclohexylphosphino-2,4,6-triisopropylbiphenyl; Buchwald Ligand; XPhos ligand
| Molecular Formula | C33H49P |
|---|---|
| Molecular Weight | 476.72 g/mol |
| LogP | 10.1 |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 7 |
| Exact Mass | 476.35718 |
| Heavy Atoms | 34 |
| Complexity | 545.0 |
| Appearance | White to off-white crystalline powder |
| Melting Point | 187-190°C |
Chemical Identifiers
| CAS Number | 564483-18-7 |
|---|---|
| SMILES | CC(C)C1=CC(C(C)C)=CC(C(C)C)=C1C2=C(P(C3CCCCC3)C4CCCCC4)C=CC=C2 |
| InChIKey | UGOMMVLRQDMAQQ-UHFFFAOYSA-N |
📋 Applications
Palladium-catalyzed cross-coupling ligand. Suzuki-Miyaura, Buchwald-Hartwig C-N, Heck, Hiyama, Negishi, Sonogashira, and Stille couplings. Effective for heteroaryl substrates and unactivated aryl chlorides.
Product Overview
XPhos (CAS 564483-18-7), with molecular formula C33H49P and molecular weight 476.72 g/mol. IUPAC: 2-Dicyclohexylphosphino-2',4',6'-triisopropylbiphenyl.
Appearance: White to off-white crystalline powder, purity ≥98%.
Primary applications: Palladium-catalyzed cross-coupling ligand. Suzuki-Miyaura, Buchwald-Hartwig C-N, Heck, Hiyama, Negishi, Sonogashira, and Stille couplings. Effective for heteroaryl substrates and unactivated aryl chlorides..