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

• ChemBase ID: 140511
• Molecular Formular: C30H24O6P2
• Molecular Mass: 542.455482
• Monoisotopic Mass: 542.10481175
• SMILES: COc1cccc(c1c1c(cccc1P(c1ccco1)c1ccco1)OC)P(c1ccco1)c1ccco1
• Canonical SMILES: COc1cccc(c1c1c(OC)cccc1P(c1ccco1)c1ccco1)P(c1ccco1)c1ccco1
• InChI: InChI=1S/C30H24O6P2/c1-31-21-9-3-11-23(37(25-13-5-17-33-25)26-14-6-18-34-26)29(21)30-22(32-2)10-4-12-24(30)38(27-15-7-19-35-27)28-16-8-20-36-28/h3-20H,1-2H3
• InChIKey: ABGYJVGTLXSMBM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-{2-[bis(furan-2-yl)phosphanyl]-6-methoxyphenyl}-3-methoxyphenyl)bis(furan-2-yl)phosphane
• IUPAC Traditional name: (2-{2-[bis(furan-2-yl)phosphanyl]-6-methoxyphenyl}-3-methoxyphenyl)bis(furan-2-yl)phosphane
• Synonyms: SL-A108-2; (S)-(-)-2,2′-Bis(di-2-furylphosphino)-6,6′-dimethoxy-1,1′-biphenyl; (S)-2-Furyl-MeOBIPHEP; (S)-(6,6′-Dimethoxybiphenyl-2,2′-diyl)bis(di-2-furylphosphine); (R)-(6,6′-Dimethoxybiphenyl-2,2′-diyl)bis(di-2-furylphosphine); SL-A108-1; (R)-(+)-2,2′-Bis(di-2-furylphosphino)-6,6′-dimethoxy-1,1′-biphenyl; (R)-2-Furyl-MeOBIPHEP; (S)-(+)-2,2′-双(二-2-呋喃基膦)-6,6′-二甲氧-1,1′-联苯; (S)-2-呋喃基-MeOBIPHEP; (S)-(6,6′-二甲氧基联苯-2,2′-二基)双(二-2-呋喃基膦); (R)-(6,6′-二甲氧基联苯-2,2′-二基)双(二-2-呋喃基膦); (R)-2-呋喃基-MeOBIPHEP; (R)-(+)-2,2′-双(二-2-呋喃基膦)-6,6′-二甲氧-1,1′-联苯

Database IDs

• CAS Number: 145214-57-9; 145214-59-1
• MDL Number: MFCD09753004
• PubChem SID: 162234755
• PubChem CID: 15307805

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 5.8532
• LogD (pH = 7.4): 5.8532
• Log P: 5.8532
• Molar Refractivity: 142.3172 cm^3
• Polarizability: 57.562695 Å^3
• Polar Surface Area: 71.02 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): C30H24O6P2

DETAILS

Sigma Aldrich - 29515

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 - 29514

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