1-{[2-fluoro-6-(trifluoromethyl)phenyl]methyl}-5-iodo-6-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione , 97% , 1150560-54-5

CAS NO.：1150560-54-5

Empirical Formula: C13H9F4IN2O2

Molecular Weight: 428.12

MDL number:

PRODUCT Properties

• Melting point: >190oC (dec.)
• Density: 1.88±0.1 g/cm3(Predicted)
• storage temp.: -20°C Freezer, Under inert atmosphere
• solubility: Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly, Heated)
• pka: 8.04±0.40(Predicted)
• form: Solid
• color: White to Off-White
• InChI: InChI=1S/C13H9F4IN2O2/c1-6-10(18)11(21)19-12(22)20(6)5-7-8(13(15,16)17)3-2-4-9(7)14/h2-4H,5H2,1H3,(H,19,21,22)
• InChIKey: TZBUKGISILNJCR-UHFFFAOYSA-N
• SMILES: C1(=O)N(CC2=C(C(F)(F)F)C=CC=C2F)C(C)=C(I)C(=O)N1
• LogP: 2

Description and Uses

1-{[2-fluoro-6-(trifluoromethyl)phenyl]methyl}-5-iodo-6-methyl-1,2,3,4-tetrahydropyrimidine-2,4-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: H302-H315-H319-H335
• Precautionary statements: P261-P280-P301+P312-P302+P352-P305+P351+P338