λ1-rhodium(1+) ion (2R,5R)-1-{2-[(2R,5R)-2,5-dimethylphospholan-1-yl]-3,3,4,4-tetrafluorocyclobut-1-en-1-yl}-2,5-dimethylphospholane cycloocta-1,5-diene tetrafluoroboranuide

• ChemBase ID: 141340
• Molecular Formular: C24H36BF8P2Rh
• Molecular Mass: 652.1938876
• Monoisotopic Mass: 652.13125957
• SMILES: [B-](F)(F)(F)F.C[C@H]1P([C@@H](CC1)C)C1=C(C(C1(F)F)(F)F)P1[C@@H](CC[C@H]1C)C.C1C=CCCC=CC1.[Rh+]
• Canonical SMILES: C1CC=CCCC=C1.F[B-](F)(F)F.C[C@@H]1CC[C@H](P1C1=C(P2[C@H](C)CC[C@H]2C)C(C1(F)F)(F)F)C.[Rh+]
• InChI: InChI=1S/C16H24F4P2.C8H12.BF4.Rh/c1-9-5-6-10(2)21(9)13-14(16(19,20)15(13,17)18)22-11(3)7-8-12(22)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/t9-,10-,11-,12-;;;/m1.../s1
• InChIKey: FAEFUBUMCYELNL-SAYZQONQSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: λ^1-rhodium(1+) ion (2R,5R)-1-{2-[(2R,5R)-2,5-dimethylphospholan-1-yl]-3,3,4,4-tetrafluorocyclobut-1-en-1-yl}-2,5-dimethylphospholane cycloocta-1,5-diene tetrafluoroboranuide
• IUPAC Traditional name: λ^1-rhodium(1+) ion (2R,5R)-1-{2-[(2R,5R)-2,5-dimethylphospholan-1-yl]-3,3,4,4-tetrafluorocyclobut-1-en-1-yl}-2,5-dimethylphospholane 1,5-cyclooctadiene tetrafluoroborate
• Synonyms: catASium® MQF(R)Rh; 1,2-Bis[(2R,5R)-2,5-dimethyl-phospholanyl]3,3,4,4-tetrafluoro-1-cyclobutene(1,5-cyclooctadiene)rhodium(I) tetrafluoroborate; 1,2-Bis[(2R,5R)-2,5-dimethylphospholano]-3,3,4,4-tetrafluoro-1-cyclobutene(1,5-cyclooctadiene)rhodium(I) tetrafluoroborate; 1,2-双[(2R,5R)-2,5-二甲基-磷烷基]3,3,4,4-四氟-1-环丁烯(1,5-环辛二烯)四氟硼酸铑(I); 1,2-双[(2R,5R)-2,5-二甲基磷]-3,3,4,4-四氟-1-环丁烯(1,5-环辛二烯)四氟硼酸铑(I)

Database IDs

• CAS Number: 910048-20-3
• MDL Number: MFCD10567388
• PubChem SID: 162235574
• PubChem CID: 71310606

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.907081
• LogD (pH = 7.4): 2.9085808
• Log P: 2.9086
• Molar Refractivity: 93.6774 cm^3
• Polarizability: 32.216217 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• 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: ≥95% (31P-NMR); 95%
• Empirical Formula (Hill Notation): C24H36BF8P2Rh

DETAILS

Sigma Aldrich - 670472

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