[1-(2-methoxynaphthalen-1-yl)naphthalen-2-yl]diphenylphosphane

• ChemBase ID: 141629
• Molecular Formular: C33H25OP
• Molecular Mass: 468.524761
• Monoisotopic Mass: 468.16430205
• SMILES: COc1ccc2ccccc2c1c1c2ccccc2ccc1P(c1ccccc1)c1ccccc1
• Canonical SMILES: COc1ccc2c(c1c1c(ccc3c1cccc3)P(c1ccccc1)c1ccccc1)cccc2
• InChI: InChI=1S/C33H25OP/c1-34-30-22-20-24-12-8-10-18-28(24)32(30)33-29-19-11-9-13-25(29)21-23-31(33)35(26-14-4-2-5-15-26)27-16-6-3-7-17-27/h2-23H,1H3
• InChIKey: KRWTWSSMURUMDE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [1-(2-methoxynaphthalen-1-yl)naphthalen-2-yl]diphenylphosphane
• IUPAC Traditional name: [1-(2-methoxynaphthalen-1-yl)naphthalen-2-yl]diphenylphosphane
• Synonyms: (R)-(+)-2-(Diphenylphosphino)-2′-methoxy-1,1′-binaphthyl; R-MOP; (S)-(2'-Methoxy-[1,1'-binaphthalen]-2-yl)diphenylphosphine; (R)-(2'-Methoxy-[1,1'-binaphthalen]-2-yl)diphenylphosphine; (R)-(+)-2-(二苯基膦)-2′-甲氧基-1,1′-联萘

Database IDs

• CAS Number: 145964-33-6; 134484-36-9
• MDL Number: MFCD00269686
• PubChem SID: 162235863
• PubChem CID: 4190002

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 8.5427
• LogD (pH = 7.4): 8.5427
• Log P: 8.5427
• Molar Refractivity: 146.1227 cm^3
• Polarizability: 61.167408 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Optical Rotation: [α]20/D +94°, c = 0.5 in chloroform

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: ≥94%; 97%; 98%
• Empirical Formula (Hill Notation): C33H25OP

DETAILS

Sigma Aldrich - 693537

Application
Takasago Ligands and Complexes for Asymmetric ReactionsLigand used in palladium-catalyzed asymmetric hydrosilylation of olefins1,2, palladium-catalyzed reduction of allylic esters3, rhodium-catalyzed asymmetric addition reactions4,5, and asymmetric amination reactions catalyzed by copper(I) complexes6.
Packaging
50, 100 mg in glass bottle
Legal Information
Sold in collaboration with Takasago for research purposes only. US5231202