λ1-rhodium(1+) ion (1Z,5Z)-cycloocta-1,5-diene bis[(2R,5R)-2,5-dimethylphospholan-1-yl]-2,5-dihydrofuran-2,5-dione tetrafluoroboranuide

• ChemBase ID: 141553
• Molecular Formular: C24H36BF4O3P2Rh
• Molecular Mass: 624.1984748
• Monoisotopic Mass: 624.12239055
• SMILES: [B-](F)(F)(F)F.C[C@@H]1CC[C@H](P1C1=C(C(=O)OC1=O)P1[C@@H](CC[C@H]1C)C)C.C1CC=CCCC=C1.[Rh+]
• Canonical SMILES: C1CC=CCCC=C1.F[B-](F)(F)F.C[C@@H]1CC[C@H](P1C1=C(C(=O)OC1=O)P1[C@H](C)CC[C@H]1C)C.[Rh+]
• InChI: InChI=1S/C16H24O3P2.C8H12.BF4.Rh/c1-9-5-6-10(2)20(9)13-14(16(18)19-15(13)17)21-11(3)7-8-12(21)4;1-2-4-6-8-7-5-3-1;2-1(3,4)5;/h9-12H,5-8H2,1-4H3;1-2,7-8H,3-6H2;;/q;;-1;+1/b;2-1-,8-7-;;/t9-,10-,11-,12-;;;/m1.../s1
• InChIKey: YHICQPCGXUUKKY-HEEUKTGESA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: λ^1-rhodium(1+) ion (1Z,5Z)-cycloocta-1,5-diene bis[(2R,5R)-2,5-dimethylphospholan-1-yl]-2,5-dihydrofuran-2,5-dione tetrafluoroboranuide
• IUPAC Traditional name: λ^1-rhodium(1+) ion 1,5-cyclooctadiene bis[(2R,5R)-2,5-dimethylphospholan-1-yl]furan-2,5-dione tetrafluoroborate
• Synonyms: catASium® M(R)Rh; 2,3-Bis[(2R,5R)-2,5-dimethyl-phospholanyl]maleic anhydride(1,5-cyclooctadiene)rhodium(I) tetrafluoroborate; (-)-2,3-Bis[(2R,5R)-2,5-dimethylphospholano]maleic anhydride(1,5-cyclooctadiene)rhodium(I) tetrafluoroborate; 2,3-双[(2R,5R)-2,5-二甲基-磷烷基]马来酸酐(1,5-环辛二烯)四氟硼酸铑(I); (-)-2,3-双[(2R,5R)-2,5-二甲基磷]马来酸酐(1,5-环辛二烯)四氟硼酸铑(I)

Database IDs

• CAS Number: 507224-99-9
• MDL Number: MFCD05861616
• PubChem SID: 162235787
• PubChem CID: 11342591

CALCULATED PROPERTIES

• LogD (pH = 5.5): 2.3497827
• LogD (pH = 7.4): 2.3497999
• Log P: 2.3498
• Molar Refractivity: 95.5746 cm^3
• Polarizability: 34.07117 Å^3
• Polar Surface Area: 43.37 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: false
• H Acceptors: 2
• H Donor: 0

PROPERTIES

Safety Information

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

Product Information

• Purity: ≥98% (31P-NMR); 98%
• Empirical Formula (Hill Notation): C24H36BF4O3P2Rh

DETAILS

Sigma Aldrich - 670804

General description
sold in collaboration with Solvias AG
Packaging
100, 500 mg in glass bottle
Application
Essential Elements for Asymmetric Hydrogenations
Legal Information
catASium is a registered trademark of Evonik Degussa GmbH