dicyclohexyl(1,1-diphenylprop-1-en-2-yl)phosphane

• ChemBase ID: 141674
• Molecular Formular: C27H35P
• Molecular Mass: 390.540561
• Monoisotopic Mass: 390.24763775
• SMILES: C/C(=C(\c1ccccc1)/c1ccccc1)/P(C1CCCCC1)C1CCCCC1
• Canonical SMILES: C/C(=C(\c1ccccc1)/c1ccccc1)/P(C1CCCCC1)C1CCCCC1
• InChI: InChI=1S/C27H35P/c1-22(27(23-14-6-2-7-15-23)24-16-8-3-9-17-24)28(25-18-10-4-11-19-25)26-20-12-5-13-21-26/h2-3,6-9,14-17,25-26H,4-5,10-13,18-21H2,1H3
• InChIKey: YMSBPYCREGBACF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dicyclohexyl(1,1-diphenylprop-1-en-2-yl)phosphane
• IUPAC Traditional name: dicyclohexyl(1,1-diphenylprop-1-en-2-yl)phosphane
• Synonyms: 2-(Dicyclohexylphosphino)-1,1-diphenyl-1-propene; Dicyclohexyl(1-methyl-2,2-diphenylvinyl)phosphine; Cy-vBRIDP; 2-(二环己基膦基)-1,1-二苯基-1-丙烯; 二环己基(2,2-二苯基-1-甲基乙烯基)磷化氢

Database IDs

• CAS Number: 384842-24-4
• MDL Number: MFCD10565627
• PubChem SID: 162235908
• PubChem CID: 12010824

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 6.642692
• LogD (pH = 7.4): 6.68142
• Log P: 6.9881
• Molar Refractivity: 137.8627 cm^3
• Polarizability: 48.761192 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 124-130 °C

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• Storage Temperature: 2-8°C

Product Information

• Empirical Formula (Hill Notation): C27H35P

DETAILS

Sigma Aldrich - 702943

Packaging
100, 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 cycloaddition reactions
Protocols & Applications
Cross-Coupling Catalysis with BRIDP Ligands