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ChemicalBook--->CAS DataBase List--->830346-47-9

830346-47-9

830346-47-9 Structure

830346-47-9 Structure
IdentificationBack Directory
[Name]

Benzeneacetic acid, 4-fluoro-.alpha.-(1-methylethyl)-, (.alpha.S)-
[CAS]

830346-47-9
[Synonyms]

Elagolix Impurity 27
elagolix intermediate
elagolix intermediate 4
Elagolix Sodium Intermediate
4-fluoro-.alpha.-(1-methylethyl)-, (.alpha.S)-
1-[2-fluoro-6-(trifluoromethyl)benzyl]-6-methylpyrimi
1-[2-fluoro-6-(trifluoromethyl)benzyl]-6-methylpyrimid
1-[2-fluoro-6-(trifluoromethyl)benzyl]-6-methylpyrimidine-2,...
Benzeneacetic acid, 4-fluoro-.alpha.-(1-ethylethyl)-,(.alpha.S)-
Benzeneacetic acid, 4-fluoro-.alpha.-(1-methylethyl)-, (.alpha.S)-
1-(2-Fluoro-6-trifluoromethyl-benzyl)-6-methyl-1H-pyrimidine-2,4-dione
1-[2-Fluoro-6-(trifluoromethyl)benzyl]-6-methylpyrimidine-2,4(1H,3H)-dione
1-[2-fluoro-6-(trifluoromethyl)benzyl]-6-methyl-2,4(1H,3H)-pyrimidinedione
1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-6-methylpyrimidine-2,4-dione
1-(2-Flouro-6-(triflouromethyl)benzyl)-6-methylpyrimidine-2,4-(1H,3H)-dione
1-[2-Fluoro-6-(trifluoromethyl)benzyl]-6-methylpyrimidine- 2-2,4(1H,3H)-dione
1-{2- Fluoro -6- trifluoromethyl - benzyl )-6- mcthyl -1H- pyrimidine -2,4- dione
1-[[2-Fluoro-6-(trifluoromethyl)phenyl]methyl]-6-methyl-2,4(1H,3H)-pyrimidinedione
2,4(1H,3H)-Pyrimidinedione, 1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-6-methyl-
1-{[2-fluoro-6-(trifluoromethyl)phenyl]methyl}-6-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
[Molecular Formula]

C13H10F4N2O2
[MDL Number]

MFCD00792491
[MOL File]

830346-47-9.mol
[Molecular Weight]

302.22
Chemical PropertiesBack Directory
[density ]

1.413±0.06 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,Room Temperature
[pka]

9.49±0.40(Predicted)
[InChI]

InChI=1S/C13H10F4N2O2/c1-7-5-11(20)18-12(21)19(7)6-8-9(13(15,16)17)3-2-4-10(8)14/h2-5H,6H2,1H3,(H,18,20,21)
[InChIKey]

IJRKKZXPXBTHER-UHFFFAOYSA-N
[SMILES]

C1(=O)N(CC2=C(C(F)(F)F)C=CC=C2F)C(C)=CC(=O)N1
Safety DataBack Directory
[Symbol(GHS) ]


GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P305+P351+P338
Hazard InformationBack Directory
[Uses]

1-(2-Fluoro-6-(trifluoromethyl)benzyl)-6-methylpyrimidine-2,4(1H,3H)-dione is a pharmaceutical intermediate ingredient used in the preparation of Elagolix sodium, which is FDA-approved for the treatment of pain associated with moderate to severe pain associated with endometriosis.
Spectrum DetailBack Directory
[Spectrum Detail]

1-(2-Fluoro-6-(trifluoromethyl)benzyl)-6-methylpyrimidine-2,4(1H,3H)-dione(830346-47-9)1HNMR
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