butylbis(3R,5S,7s)-adamantan-1-ylphosphane

• ChemBase ID: 141149
• Molecular Formular: C24H39P
• Molecular Mass: 358.540221
• Monoisotopic Mass: 358.27893788
• SMILES: CCCCP([C@@]12C[C@H]3C[C@@H](C1)C[C@@H](C2)C3)[C@@]12C[C@H]3C[C@@H](C1)C[C@H](C2)C3
• Canonical SMILES: CCCCP([C@]12C[C@@H]3C[C@@H](C2)C[C@@H](C1)C3)[C@]12C[C@H]3C[C@@H](C2)C[C@@H](C1)C3
• InChI: InChI=1S/C24H39P/c1-2-3-4-25(23-11-17-5-18(12-23)7-19(6-17)13-23)24-14-20-8-21(15-24)10-22(9-20)16-24/h17-22H,2-16H2,1H3/t17-,18+,19-,20-,21+,22-,23-,24-
• InChIKey: HTJWUNNIRKDDIV-FECFBMJZSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: butylbis(3R,5S,7s)-adamantan-1-ylphosphane
• IUPAC Traditional name: butylbis(3R,5S,7s)-adamantan-1-ylphosphane
• Synonyms: cataCXium® A; Di(1-adamantyl)-n-butylphosphine; 正丁基二(1-金刚烷基)膦

Database IDs

• CAS Number: 321921-71-5
• MDL Number: MFCD05861606
• Beilstein Number: 8726448
• PubChem SID: 162235384
• PubChem CID: 11371790

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.936951
• LogD (pH = 7.4): 4.9369526
• Log P: 4.9529
• Molar Refractivity: 112.109 cm^3
• Polarizability: 43.31061 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Ligand For: Arylations; Buchwald-Hartwig Cross Coupling Reaction; C-C Bond Formation; Heck Reaction; Sonogashira Coupling; Suzuki-Miyaura Coupling

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: ≥95%; 95%
• Empirical Formula (Hill Notation): C24H39P

DETAILS

Sigma Aldrich - 671479

General description
Sold in collaboration with Solvias AG
Packaging
1, 5 g in glass bottle
Legal Information
US7148176
cataCXium is a registered trademark of Evonik Degussa GmbH
Protocols & Applications
Efficient Suzuki Coupling with cataCXium Ligands and Complexes