di-tert-butyl(1,1-diphenylprop-1-en-2-yl)phosphane

• ChemBase ID: 143199
• Molecular Formular: C23H31P
• Molecular Mass: 338.466001
• Monoisotopic Mass: 338.21633762
• SMILES: C/C(=C(/c1ccccc1)\c1ccccc1)/P(C(C)(C)C)C(C)(C)C
• Canonical SMILES: C/C(=C(/c1ccccc1)\c1ccccc1)/P(C(C)(C)C)C(C)(C)C
• InChI: InChI=1S/C23H31P/c1-18(24(22(2,3)4)23(5,6)7)21(19-14-10-8-11-15-19)20-16-12-9-13-17-20/h8-17H,1-7H3
• InChIKey: CYGZMOQFIMJEIT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: di-tert-butyl(1,1-diphenylprop-1-en-2-yl)phosphane
• IUPAC Traditional name: di-tert-butyl(1,1-diphenylprop-1-en-2-yl)phosphane
• Synonyms: Bis(1,1-dimethylethyl)(1-methyl-2,2-diphenylethenyl)phosphine; Di-tert-butyl(1-methyl-2,2-diphenylethenyl)phosphine; vBRIDP; 二叔丁基(1-甲基-2,2-二苯基乙烯基)膦

Database IDs

• CAS Number: 384842-25-5
• MDL Number: MFCD16621412
• PubChem SID: 162237420
• PubChem CID: 12010825

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.945414
• LogD (pH = 7.4): 5.029054
• Log P: 5.2705
• Molar Refractivity: 123.5439 cm^3
• Polarizability: 42.8642 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 130-133 °C

Safety Information

• German water hazard class: 3
• Storage Temperature: 2-8°C

Product Information

• Purity: 97%
• Empirical Formula (Hill Notation): C23H31P

DETAILS

Sigma Aldrich - 711179

Packaging
500 mg in glass bottle
Legal Information
Sold in collaboration with Takasago for research purposes only. US6455720
Application
Takasago Ligands and Complexes for Asymmetric Reactions
Catalyst for:
• Preparation of biphenyls
• Amination of aryl bromides and chlorides