6-({bis[(6,6,7,7,8,8,8-heptafluoro-2,2-dimethyl-5-oxooct-3-en-3-yl)oxy]europio}oxy)-1,1,1,2,2,3,3-heptafluoro-7,7-dimethyloct-5-en-4-one

• ChemBase ID: 140226
• Molecular Formular: C30H30EuF21O6
• Molecular Mass: 1037.4860672
• Monoisotopic Mass: 1038.0919363
• SMILES: CC(/C(=C/C(=O)C(F)(F)C(F)(F)C(F)(F)F)/O[Eu](O/C(=C/C(=O)C(F)(F)C(F)(F)C(F)(F)F)/C(C)(C)C)O/C(=C\C(=O)C(F)(F)C(F)(F)C(F)(F)F)/C(C)(C)C)(C)C
• Canonical SMILES: O=C(C(C(C(F)(F)F)(F)F)(F)F)/C=C(\C(C)(C)C)/O[Eu](O/C(=C\C(=O)C(C(C(F)(F)F)(F)F)(F)F)/C(C)(C)C)O/C(=C\C(=O)C(C(C(F)(F)F)(F)F)(F)F)/C(C)(C)C
• InChI: InChI=1S/3C10H11F7O2.Eu/c3*1-7(2,3)5(18)4-6(19)8(11,12)9(13,14)10(15,16)17;/h3*4,18H,1-3H3;/q;;;+3/p-3
• InChIKey: PTQJQBFRLLGICD-UHFFFAOYSA-K

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-({bis[(6,6,7,7,8,8,8-heptafluoro-2,2-dimethyl-5-oxooct-3-en-3-yl)oxy]europio}oxy)-1,1,1,2,2,3,3-heptafluoro-7,7-dimethyloct-5-en-4-one
• IUPAC Traditional name: 6-({bis[(6,6,7,7,8,8,8-heptafluoro-2,2-dimethyl-5-oxooct-3-en-3-yl)oxy]europio}oxy)-1,1,1,2,2,3,3-heptafluoro-7,7-dimethyloct-5-en-4-one
• Synonyms: Eu(fod)3; Europium(III)-tris(1,1,1,2,2,3,3-heptafluoro-7,7-dimethyl-4,6-octanedionate); Sievers’ Reagent; Tris(6,6,7,7,8,8,8-heptafluoro-2,2-dimethyl-3,5-octanedionato)europium; Resolve-Al™ EuFOD; Sievers 试剂; 三(1,1,1,2,2,3,3-七氟-7,7-二甲基-4,6-辛二酮酸)铕(III); 三(6,6,7,7,8,8,8-七氟-2,2-二甲基-3,5-辛二酮酸)铕

Database IDs

• CAS Number: 17631-68-4
• EC Number: 241-616-1
• MDL Number: MFCD00064655
• PubChem SID: 24849895; 162234470
• PubChem CID: 71310387

CALCULATED PROPERTIES

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 13.5285
• LogD (pH = 7.4): 13.5285
• Log P: 13.5285
• Molar Refractivity: 153.4944 cm^3
• Polarizability: 62.309982 Å^3
• Polar Surface Area: 78.9 Å^2
• Rotatable Bonds: 21
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 203-207 °C

Safety Information

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

Product Information

• Purity: 99%
• Linear Formula: Eu(OCC(CH3)3CHCOCF2CF2CF3)3

DETAILS

Sigma Aldrich - 160938

Application
When used in conjunction with Resolve-Al AgFOD, provides an effective NMR shift reagent for aromatic compounds,1 ammonium salts,2 and sulfonium and isothiouronium halides.3
General description
Enhances stereoselectivity in the radical-mediated allylation of oxysuccinate derivatives.
Packaging
1, 5 g in glass bottle
100 mg in glass bottle
Legal Information
Resolve-Al is a trademark of Sigma-Aldrich Co. LLC