bis[(2R,5R)-2,5-dimethylphospholan-1-yl]-2,5-dihydrofuran-2,5-dione

• ChemBase ID: 141344
• Molecular Formular: C16H24O3P2
• Molecular Mass: 326.307482
• Monoisotopic Mass: 326.12006789
• SMILES: C[C@@H]1CC[C@H](P1C1=C(C(=O)OC1=O)P1[C@@H](CC[C@H]1C)C)C
• Canonical SMILES: C[C@@H]1CC[C@H](P1C1=C(C(=O)OC1=O)P1[C@H](C)CC[C@H]1C)C
• InChI: InChI=1S/C16H24O3P2/c1-9-5-6-10(2)20(9)13-14(16(18)19-15(13)17)21-11(3)7-8-12(21)4/h9-12H,5-8H2,1-4H3/t9-,10-,11-,12-/m1/s1
• InChIKey: OQHMFJKKVZGWDC-DDHJBXDOSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: bis[(2R,5R)-2,5-dimethylphospholan-1-yl]-2,5-dihydrofuran-2,5-dione
• IUPAC Traditional name: bis[(2R,5R)-2,5-dimethylphospholan-1-yl]furan-2,5-dione
• Synonyms: catASium® M(R); 3,4-Bis[(2R,5R)-2,5-dimethyl-1-phospholanyl]furan-2,5-dione; (-)-2,3-Bis[(2R,5R)-2,5-dimethylphospholano]maleic anhydride; 3,4-双[(2R,5R)-2,5-二甲基-1-磷烷基]呋喃-2,5-二酮; (-)-2,3-,双[(2R,5R)-2,5-二甲基磷]马来酸酐

Database IDs

• CAS Number: 505092-86-4
• MDL Number: MFCD07781992
• Beilstein Number: 9428339
• PubChem SID: 162235578
• PubChem CID: 11034744

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• 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: true

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): C16H24O3P2

DETAILS

Sigma Aldrich - 670693

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