dicyclohexyl({2-[2-(dicyclohexylphosphanyl)phenoxy]phenyl})phosphane

• ChemBase ID: 142891
• Molecular Formular: C36H52OP2
• Molecular Mass: 562.745002
• Monoisotopic Mass: 562.34933954
• SMILES: c1ccc(c(c1)Oc1ccccc1P(C1CCCCC1)C1CCCCC1)P(C1CCCCC1)C1CCCCC1
• Canonical SMILES: C1CCC(CC1)P(c1ccccc1Oc1ccccc1P(C1CCCCC1)C1CCCCC1)C1CCCCC1
• InChI: InChI=1S/C36H52OP2/c1-5-17-29(18-6-1)38(30-19-7-2-8-20-30)35-27-15-13-25-33(35)37-34-26-14-16-28-36(34)39(31-21-9-3-10-22-31)32-23-11-4-12-24-32/h13-16,25-32H,1-12,17-24H2
• InChIKey: HPFGZHCWLVSVKJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dicyclohexyl({2-[2-(dicyclohexylphosphanyl)phenoxy]phenyl})phosphane
• IUPAC Traditional name: dicyclohexyl({2-[2-(dicyclohexylphosphanyl)phenoxy]phenyl})phosphane
• Synonyms: (Oxydi-2,1-phenylene)bis[dicyclohexyl] phosphine; Bis(dicyclohexylphosphinophenyl) ether; 双(二环己基膦基苯基)醚

Database IDs

• CAS Number: 434336-16-0
• MDL Number: MFCD03058784
• PubChem SID: 162237117
• PubChem CID: 4499096

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 9.522959
• LogD (pH = 7.4): 9.637286
• Log P: 9.6392
• Molar Refractivity: 168.1782 cm^3
• Polarizability: 67.44838 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 140-146 °C

Safety Information

• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 20/21/22-36/37/38
• Safety Statements: 26-36/37
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H312-H315-H319-H332-H335
• GHS Precautionary statements: P261-P280-P305 + P351 + P338

Product Information

• Purity: 97%
• Empirical Formula (Hill Notation): C36H52OP2

DETAILS

Sigma Aldrich - 718122

Packaging
1 g in glass bottle
Application
Catalyst for diastereoselective intramolecular N-arylation intermolecular carboamination1