(2-{2-[bis(4-methylphenyl)phosphanyl]-6-methoxyphenyl}-3-methoxyphenyl)bis(4-methylphenyl)phosphane

• ChemBase ID: 140510
• Molecular Formular: C42H40O2P2
• Molecular Mass: 638.713322
• Monoisotopic Mass: 638.25035378
• SMILES: Cc1ccc(cc1)P(c1ccc(cc1)C)c1cccc(c1c1c(cccc1P(c1ccc(cc1)C)c1ccc(cc1)C)OC)OC
• Canonical SMILES: COc1cccc(c1c1c(OC)cccc1P(c1ccc(cc1)C)c1ccc(cc1)C)P(c1ccc(cc1)C)c1ccc(cc1)C
• InChI: InChI=1S/C42H40O2P2/c1-29-13-21-33(22-14-29)45(34-23-15-30(2)16-24-34)39-11-7-9-37(43-5)41(39)42-38(44-6)10-8-12-40(42)46(35-25-17-31(3)18-26-35)36-27-19-32(4)20-28-36/h7-28H,1-6H3
• InChIKey: DTMVLPFJTUJZAY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-{2-[bis(4-methylphenyl)phosphanyl]-6-methoxyphenyl}-3-methoxyphenyl)bis(4-methylphenyl)phosphane
• IUPAC Traditional name: (2-{2-[bis(4-methylphenyl)phosphanyl]-6-methoxyphenyl}-3-methoxyphenyl)bis(4-methylphenyl)phosphane
• Synonyms: (R)-p-Tol-MeOBIPHEP; SL-A102-1; (R)-2,2′-Bis(di-p-tolylphosphino)-6,6′-dimethoxy-1,1′-biphenyl; (R)-(6,6′-Dimethoxybiphenyl-2,2′-diyl)bis[bis(4-methylphenyl)phosphine]; (S)-p-Tol-MeOBIPHEP; SL-A102-2; (S)-2,2′-Bis(di-p-tolylphosphino)-6,6′-dimethoxy-1,1′-biphenyl; (S)-(6,6′-Dimethoxybiphenyl-2,2′-diyl)bis[bis(4-methylphenyl)phosphine]; (R)-2,2′-双(二-对甲苯基膦)-6,6′-二甲氧基-1,1′-联苯; (R)-(6,6′-二甲氧基联苯-2,2′-二基)二[双(4-甲基苯基)膦]; (S)-2,2′-双(二-对甲苯基膦)-6,6′-二甲氧基-1,1′-联苯; (S)-(6,6′-二甲氧基联苯-2,2′-二基)二[双(4-甲基苯基)膦]

Database IDs

• CAS Number: 133545-25-2; 133545-24-1
• MDL Number: MFCD09753006
• PubChem SID: 162234754
• PubChem CID: 22173705

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 11.2144
• LogD (pH = 7.4): 11.2144
• Log P: 11.2144
• Molar Refractivity: 195.4152 cm^3
• Polarizability: 77.355354 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

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

Product Information

• Purity: ≥97%
• Optical Purity: ee: ≥99%
• Empirical Formula (Hill Notation): C42H40O2P2

DETAILS

Sigma Aldrich - 29521

General description
sold in collaboration with Solvias AG
Packaging
1, 5 g in glass bottle
100, 500 mg in glass bottle
Application
Atropisomeric MeOBIPHEP ligands

Sigma Aldrich - 29520

General description
sold in collaboration with Solvias AG
Packaging
1, 5 g in glass bottle
100, 500 mg in glass bottle
Application
Atropisomeric MeOBIPHEP ligands