dicyclohexyl(1-methyl-2,2-diphenylcyclopropyl)phosphane

• ChemBase ID: 141675
• Molecular Formular: C28H37P
• Molecular Mass: 404.567141
• Monoisotopic Mass: 404.26328781
• SMILES: CC1(CC1(c1ccccc1)c1ccccc1)P(C1CCCCC1)C1CCCCC1
• Canonical SMILES: CC1(CC1(c1ccccc1)c1ccccc1)P(C1CCCCC1)C1CCCCC1
• InChI: InChI=1S/C28H37P/c1-27(29(25-18-10-4-11-19-25)26-20-12-5-13-21-26)22-28(27,23-14-6-2-7-15-23)24-16-8-3-9-17-24/h2-3,6-9,14-17,25-26H,4-5,10-13,18-22H2,1H3
• InChIKey: JDNAVZKVTWHWKB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dicyclohexyl(1-methyl-2,2-diphenylcyclopropyl)phosphane
• IUPAC Traditional name: dicyclohexyl(1-methyl-2,2-diphenylcyclopropyl)phosphane
• Synonyms: 1-(Dicyclohexylphosphino)-2,2-Diphenyl-1-methylcyclopropane; Dicyclohexyl(2,2-diphenyl-1-methyl-1-cyclopropyl)phosphine; Cy-cBRIDP; 1-(二环己基膦)-2,2-二苯基-1-甲基环丙烷; 二环己基(2,2-二苯基-1-甲基-1-环丙基)膦

Database IDs

• MDL Number: MFCD10565626
• PubChem SID: 162235909
• PubChem CID: 53428829

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 6.785548
• LogD (pH = 7.4): 6.789028
• Log P: 7.2946
• Molar Refractivity: 140.4337 cm^3
• Polarizability: 49.94261 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 115-122 °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

• Purity: 97%
• Empirical Formula (Hill Notation): C28H37P

DETAILS

Sigma Aldrich - 702951

Packaging
100, 500 mg in glass bottle
Legal Information
Sold in collaboration with Takasago for research purposes only. US7129367
Application
Takasago Ligands and Complexes for Asymmetric Reactions
Protocols & Applications
Cross-Coupling Catalysis with BRIDP Ligands