XPhos
TL;DR: XPhos (CAS 564483-18-7) is a chemical compound with molecular formula C33H49P and molecular weight 476.72 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-Dicyclohexylphosphino-2',4',6'-triisopropylbiphenyl
Also Known As: 2-Dicyclohexylphosphino-2,4,6-triisopropylbiphenyl; Buchwald Ligand; XPhos ligand
Technical Specifications
| Molecular Formula | C33H49P |
| Molecular Weight | 476.72 g/mol |
| XLogP | 10.1 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 7 |
| Exact Mass | 476.35718 Da |
| Heavy Atoms | 34 |
| Complexity | 545.0 |
| Appearance | White to off-white crystalline powder |
| Purity | ≥98% |
| Melting Point | 187-190°C |
| SMILES | CC(C)C1=CC(C(C)C)=CC(C(C)C)=C1C2=C(P(C3CCCCC3)C4CCCCC4)C=CC=C2 |
| InChIKey | UGOMMVLRQDMAQQ-UHFFFAOYSA-N |
Product Description
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.
Chemical Property Profile of XPhos
Property Insights of XPhos
The XLogP value of 10.1 indicates that XPhos is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, XPhos exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, XPhos has 0 hydrogen bond donor(s) and 0 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of XPhos?
The CAS number of XPhos is 564483-18-7.
What is the molecular formula of XPhos?
The molecular formula of XPhos is C33H49P.
What is the molecular weight of XPhos?
The molecular weight of XPhos is 476.72 g/mol.
What does XPhos look like?
XPhos appears as White to off-white crystalline powder.
What are the applications of XPhos?
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.
Where can I buy XPhos?
You can request a quote for XPhos directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for XPhos?
Yes, CoreyChem provides custom synthesis services for XPhos and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.
Related Articles
XPhos (CAS 564483-18-7) — Complete Guide to Properties and Applications
XPhos (CAS 564483-18-7) — Complete Guide to Properties and Applications
XPhos (Universal Buchwald Ligand) (CAS 564483-18-7) — Complete Guide to Properties and Applications
XPhos (Universal Buchwald Ligand) (CAS 564483-18-7) — Complete Guide to Properties and Applications
XPhos — The Universal Buchwald Ligand Powering Modern Cross-Coupling Chemistry
XPhos — The Universal Buchwald Ligand Powering Modern Cross-Coupling Chemistry