(2-{2-[bis(propan-2-yl)phosphanyl]-6-methoxyphenyl}-3-methoxyphenyl)bis(propan-2-yl)phosphane

• ChemBase ID: 141535
• Molecular Formular: C26H40O2P2
• Molecular Mass: 446.542122
• Monoisotopic Mass: 446.25035378
• SMILES: CC(C)P(c1cccc(c1c1c(cccc1P(C(C)C)C(C)C)OC)OC)C(C)C
• Canonical SMILES: COc1cccc(c1c1c(OC)cccc1P(C(C)C)C(C)C)P(C(C)C)C(C)C
• InChI: InChI=1S/C26H40O2P2/c1-17(2)29(18(3)4)23-15-11-13-21(27-9)25(23)26-22(28-10)14-12-16-24(26)30(19(5)6)20(7)8/h11-20H,1-10H3
• InChIKey: HLLUWVKDDQIKNF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-{2-[bis(propan-2-yl)phosphanyl]-6-methoxyphenyl}-3-methoxyphenyl)bis(propan-2-yl)phosphane
• IUPAC Traditional name: {2-[2-(diisopropylphosphanyl)-6-methoxyphenyl]-3-methoxyphenyl}diisopropylphosphane
• Synonyms: (R)-iPr-MeOBIPHEP; SL-A116-1; (R)-2,2′-Bis(diisopropylphosphino)-6,6′-dimethoxy-1,1′-biphenyl; (R)-(6,6′-Dimethoxybiphenyl-2,2′-diyl)bis(diisopropylphosphine); (S)-iPr-MeOBIPHEP; SL-A116-2; (S)-2,2′-Bis(diisopropylphosphino)-6,6′-dimethoxy-1,1′-biphenyl; (S)-(6,6′-Dimethoxybiphenyl-2,2′-diyl)bis(diisopropylphosphine); (R)-2,2′-双(二异丙基膦)-6,6′-二甲氧-1,1′-联苯; (R)-(6,6′-二甲氧联苯-2,2′-二基)双(二异丙基膦); (S)-2,2′-双(二异丙基膦)-6,6′-二甲氧-1,1′-联苯; (S)-(6,6′-二甲氧联苯-2,2′-二基)双(二异丙基膦)

Database IDs

• CAS Number: 150971-43-0; 150971-45-2
• MDL Number: MFCD09753011
• PubChem SID: 162235769
• PubChem CID: 15823035

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 5.82459
• LogD (pH = 7.4): 6.064211
• Log P: 6.0712
• Molar Refractivity: 132.6128 cm^3
• Polarizability: 53.92198 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): C26H40O2P2

DETAILS

Sigma Aldrich - 29519

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 - 29518

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