di-tert-butyl(1-methyl-2,2-diphenylcyclopropyl)phosphane

• ChemBase ID: 141225
• Molecular Formular: C24H33P
• Molecular Mass: 352.492581
• Monoisotopic Mass: 352.23198769
• SMILES: CC1(CC1(c1ccccc1)c1ccccc1)P(C(C)(C)C)C(C)(C)C
• Canonical SMILES: CC(P(C1(C)CC1(c1ccccc1)c1ccccc1)C(C)(C)C)(C)C
• InChI: InChI=1S/C24H33P/c1-21(2,3)25(22(4,5)6)23(7)18-24(23,19-14-10-8-11-15-19)20-16-12-9-13-17-20/h8-17H,18H2,1-7H3
• InChIKey: QMLPJDVGNRHGJQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: di-tert-butyl(1-methyl-2,2-diphenylcyclopropyl)phosphane
• IUPAC Traditional name: di-tert-butyl(1-methyl-2,2-diphenylcyclopropyl)phosphane
• Synonyms: Mo-Phos; Di-tert-butyl(2,2-diphenyl-1-methyl-1-cyclopropyl)phosphine; cBRIDP; 二叔丁基(2,2-二苯基-1-甲基-1-环丙基)膦

Database IDs

• MDL Number: MFCD09753012
• PubChem SID: 162235460
• PubChem CID: 21909131

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.087456
• LogD (pH = 7.4): 5.0974526
• Log P: 5.577
• Molar Refractivity: 126.1149 cm^3
• Polarizability: 44.041824 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 87-91 °C

Product Information

• Empirical Formula (Hill Notation): C24H33P

DETAILS

Sigma Aldrich - 693383

Packaging
100, 500 mg in glass bottle
Legal Information
Sold in collaboration with Takasago for research purposes only.
Application
Takasago Ligands and Complexes for Asymmetric Reactions
Protocols & Applications
Cross-Coupling Catalysis with BRIDP Ligands