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Merck
CN

93335

Europium(III) tris[3-(heptafluoropropylhydroxymethylene)-d-camphorate]

puriss. p.a., suitable for NMR (spectroscopy)

Synonym(s):

Eu(hfc)3, Tris[3-(heptafluoropropylhydroxymethylene)-d-camphorato]europium(III)

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About This Item

Empirical Formula (Hill Notation):
C42H42EuF21O6
CAS Number:
34788-82-4
Molecular Weight:
1193.71
NACRES:
NA.22
PubChem Substance ID:
329770226
UNSPSC Code:
12352115
EC Number:
252-214-0
MDL number:
MFCD00151059

Key Documents

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Product Name

Europium(III) tris[3-(heptafluoropropylhydroxymethylene)-d-camphorate], puriss. p.a., suitable for NMR (spectroscopy)

InChI key

VGLKHVQPWGFXEG-PSMAIOHISA-K

InChI

1S/3C14H15F7O2.Eu/c3*1-10(2)6-4-5-11(10,3)8(22)7(6)9(23)12(15,16)13(17,18)14(19,20)21;/h3*6,23H,4-5H2,1-3H3;/q;;;+3/p-3/b3*9-7+;/t3*6-,11+;/m111./s1

SMILES string

CC1(C)C2CC[C@@]1(C)C(=O)C2=C(O[Eu](OC(=C3C4CC[C@@](C)(C3=O)C4(C)C)C(F)(F)C(F)(F)C(F)(F)F)OC(=C5C6CC[C@@](C)(C5=O)C6(C)C)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F

grade

puriss. p.a.

form

powder

mp

~160 °C (lit.)

suitability

suitable for NMR (spectroscopy)

functional group

fluoro
ketone

storage temp.

2-8°C

Quality Level

100

Related Categories

Application

It may be used as the NMR shift reagent in the 1H NMR analysis to determine the following:
  • Enantiomeric purities of the precursors of trisporic acids A, B and related products.
  • Optical purity of racemic 6,7-dichloro-5-methoxy-2-methyl-2-phenyl-1 indanone.
  • Epimeric purity of 4-methylsulfinylbutylglucosinolate.

Other Notes

Chiral shift reagent for the determination of enantiomer ratios by NMR ; Measurements in polar solvents; For use as a Lanthanide shift reagent

Packaging

Bottomless glass bottle. Contents are inside inserted fused cone.

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

Eyeshields, Gloves, type N95 (US)

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Certificates of Analysis (COA)

Lot/Batch Number
BCCK3513
BCCJ2703
BCCH2268
BCCD8638
BCCC8416

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M. Calmes et al.
Tetrahedron, 43, 2285-2285 (1987)
Pirkle et al.
The Journal of Organic Chemistry, 44, 1025-1025 (1979)
Determination of the absolute configuration of the glucosinolate methyl sulfoxide group reveals a stereospecific biosynthesis of the side chain.
Vergara F, et al.
Phytochemistry, 69(15), 2737-2742 (2008)
Enantioselective synthesis of the white key intermediate for the synthesis of trisporic acids.
Bacigaluppo JA, et al.
Tetrahedron Asymmetry, 5(10), 1877-1880 (1994)
Optical purity determination and 1H-NMR spectral simplification with lanthanide shift reagents-VIII. An indacrinone precursor, 6, 7-dichloro-5-methoxy-2-methyl-2-phenyl-1-indanone.
Hatzis A and Rothchild R.
Journal of Pharmaceutical and Biomedical Analysis, 4(4), 443-449 (1986)
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