5-Bromo-1-(2-fluoro-6-(trifluoromethyl)benzyl)-6-methylpyrimidine-2,4(1H,3H)-dione , 95% , 830346-48-0

CAS NO.：830346-48-0

Empirical Formula: C13H9BrF4N2O2

Molecular Weight: 381.12

MDL number: MFCD12546646

PRODUCT Properties

• Melting point: >230°C (dec.)
• Density: 1.684±0.06 g/cm3(Predicted)
• storage temp.: Sealed in dry,Room Temperature
• solubility: Chloroform (Slightly, Heated), DMSO (Slightly), Methanol (Slightly)
• pka: 7.83±0.40(Predicted)
• form: Solid
• color: White to Off-White
• InChI: InChI=1S/C13H9BrF4N2O2/c1-6-10(14)11(21)19-12(22)20(6)5-7-8(13(16,17)18)3-2-4-9(7)15/h2-4H,5H2,1H3,(H,19,21,22)
• InChIKey: RDQPTRWUBKZZFJ-UHFFFAOYSA-N
• SMILES: C1(=O)N(CC2=C(C(F)(F)F)C=CC=C2F)C(C)=C(Br)C(=O)N1

Description and Uses

5-Bromo-1-[2-Fluoro-6-(trifluoromethyl)benzyl]-6-methylpyrimidine-2,4(1H,3H)-dione is an intermediate in the synthesis of Elagolix, a gonadotropin-releasing hormone antagonist (GnRH) used in the treatment of endometriosis.

Safety

• Symbol(GHS): GHS07
• Signal word: Warning
• Hazard statements: H315-H319
• Precautionary statements: P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362