5-(2-Fluoro-3-methoxyphenyl)-1-[2-fluoro-6-(trifluoromethyl)benzyl]-6-methylpyrimidine-2,4(1H,3H)-dione - CAS 1150560-59-0
Catalog: |
BB003473 |
Product Name: |
5-(2-Fluoro-3-methoxyphenyl)-1-[2-fluoro-6-(trifluoromethyl)benzyl]-6-methylpyrimidine-2,4(1H,3H)-dione |
CAS: |
1150560-59-0 |
Synonyms: |
5-(2-fluoro-3-methoxyphenyl)-1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-6-methylpyrimidine-2,4-dione; 5-(2-fluoro-3-methoxyphenyl)-1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-6-methylpyrimidine-2,4-dione |
IUPAC Name: | 5-(2-fluoro-3-methoxyphenyl)-1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-6-methylpyrimidine-2,4-dione |
Description: | 5-(2-Fluoro-3-methoxyphenyl)-1-[2-fluoro-6-(trifluoromethyl)benzyl]-6-methylpyrimidine-2,4(1H,3H)-dione (CAS# 1150560-59-0) is an intermediate in the synthesis of Elagolix, a gonadotropin-releasing hormone antagonist (GnRH) used in the treatment of endometriosis. |
Molecular Weight: | 426.34 |
Molecular Formula: | C20H15F5N2O3 |
Canonical SMILES: | CC1=C(C(=O)NC(=O)N1CC2=C(C=CC=C2F)C(F)(F)F)C3=C(C(=CC=C3)OC)F |
InChI: | InChI=1S/C20H15F5N2O3/c1-10-16(11-5-3-8-15(30-2)17(11)22)18(28)26-19(29)27(10)9-12-13(20(23,24)25)6-4-7-14(12)21/h3-8H,9H2,1-2H3,(H,26,28,29) |
InChI Key: | RKWZHFVZKOVXSK-UHFFFAOYSA-N |
LogP: | 3.86590 |
GHS Hazard Statement: | H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] |
Precautionary Statement: | P201, P202, P264, P280, P281, P305+P351+P338, P308+P313, P337+P313, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112763598-A | Method for separating and determining key intermediate and related impurities of oxadegril sodium by HPLC (high Performance liquid chromatography) method | 20201221 |
CN-112763598-B | Method for separating and determining key intermediate and related impurities of oxadegril sodium by HPLC (high Performance liquid chromatography) method | 20201221 |
WO-2021130776-A1 | An improved process for the preparation of 4-({(1 r)-2-[5-(2-fluoro-3methoxyphenyl)-3-{[2-fluoro-6-(trifluoro methyl) phenyl]methyl}-4-methyl-2,6-dioxo-3,6dihydropyrimidin-1(2 h)-yl]-1-phenylethyl}amino)butanoic acid or its pharmaceutically acceptable salts | 20191227 |
WO-2021083554-A1 | 3-((r)-2-(amino-2-phenylethyl)-1-(2-fluoro-6-trifluoromethyl benzyl)-5-iodo-6-methyl-1h-pyrimidine-2,4-dione or a salt thereof, process for its preparation, and its use in the synthesis of elagolix | 20191030 |
WO-2021064561-A1 | An improved process for the preparation of elagolix sodium | 20191003 |
Complexity: | 711 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 426.10028316 |
Formal Charge: | 0 |
Heavy Atom Count: | 30 |
Hydrogen Bond Acceptor Count: | 8 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 426.10028316 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 58.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.8 |
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