1150560-54-5

Basic information

• Product Name: 1-[2-fluoro-6-(trifluoromethyl)benzyl]-5-iodo-6-methylpyrimidine-2,4(1H,3H)-dione
• Synonyms: 1-[2-fluoro-6-(trifluoromethyl)benzyl]-5-iodo-6-methylpyrimidine-2,4(1H,3H)-dione;1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-5-iodo-6-methyl-2,4(1H,3H)-Pyrimidine dione;elagolix intermediate 5;1-{[2-fluoro-6-(trifluoromethyl)phenyl]methyl}-5-iodo-6-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione;EOS-60322
• CAS NO: 1150560-54-5
• Molecular Formula: C₁₃H₉F₄IN₂O₂
• Molecular Weight: 428.1208428
• Mol File: 1150560-54-5.mol

Chemical Properties

• Appearance: /
• 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)
• CAS DataBase Reference: 1-[2-fluoro-6-(trifluoromethyl)benzyl]-5-iodo-6-methylpyrimidine-2,4(1H,3H)-dione(CAS DataBase Reference)
• NIST Chemistry Reference: 1-[2-fluoro-6-(trifluoromethyl)benzyl]-5-iodo-6-methylpyrimidine-2,4(1H,3H)-dione(1150560-54-5)
• EPA Substance Registry System: 1-[2-fluoro-6-(trifluoromethyl)benzyl]-5-iodo-6-methylpyrimidine-2,4(1H,3H)-dione(1150560-54-5)

Safety Data

• Hazardous Substances Data: 1150560-54-5(Hazardous Substances Data)

Usage

Uses

Used in Pharmaceutical Research:
1-[2-Fluoro-6-(trifluoromethyl)benzyl]-5-iodo-6-methylpyrimidine-2,4(1H,3H)-dione is used as a research chemical for the development and study of new pharmaceutical compounds. Its unique molecular structure makes it a valuable tool in the exploration of novel drug candidates and potential therapeutic applications.
Used in the Synthesis of Elagolix:
1-[2-Fluoro-6-(trifluoromethyl)benzyl]-5-iodo-6-methylpyrimidine-2,4(1H,3H)-dione is used as an intermediate in the synthesis of Elagolix, a gonadotropin-releasing hormone antagonist (GnRH). Elagolix is utilized in the treatment of endometriosis, a painful disorder that affects the uterus. The compound's role in the synthesis process highlights its importance in the development of medications for various medical conditions.

Physical Form

Solid

Upstream product

• 239087-06-0 (2-fluoro-6-(trifluoromethyl) phenyl)methanamine 
• 643088-07-7 2-fluoro-6-(trifluoromethyl)benzylamine hydrochloride 
• 581072-15-3 2-fluoro-6-(trifluoromethyl)benzaldehyde oxime 
• 60611-24-7 2-fluoro-6-(trifluoromethyl)benzaldehyde 
• 401-80-9 3-fluoro-trifluoromethylbenzene 
• 830346-47-9 1-[2-fluoro-6-(trifluoromethyl)benzyl]-6-methyl-2,4(1H,3H)-pyrimidinedione 

Downstream Products

• 1150560-59-0 5-(2-fluoro-3-methoxyphenyl)-1-{[2-fluoro-6-(trifluoromethyl)phenyl]methyl}-6-methylpyrimidine-2,4(1H,3H)-dione 
• 1150560-56-7 5-(2-chloro-3-methoxy-phenyl)-1-(2-fluoro-6-trifluoromethyl-benzyl)-6-methyl-1H-pyrimidine-2,4-dione 
• 832720-84-0 4-((R)-2-[5-(2-fluoro-3-methoxyphenyl)-3-(2-fluoro-6-trifluoromethylbenzyl)-4-methyl-2,6-dioxo-3,6-dihydro-2H-pyrimidine-1-yl]-1-phenylethylamino)butyric acid ethyl ester 
• 834153-87-6 4-((R)-2-[5-(2- fluoro-3-methoxy-phenyl)-3-(2-fluoro-6-trifluoromethyl-benzyl)-4-methyl-2,6-dioxo-3,6-dihydro-2H-pyrimidin-1-yl ]-1- phenylethylamino)-butyric acid 

Relevant articles and documents

PROCESS FOR PREPARING ELAGOLIX SODIUM AND INTERMEDIATES THEREOF

The present invention provides improved processes for the preparation of elagolix and intermediates thereof. The intermediate of formula VII is achieved by a coupling reaction of a compound of formula V and a N-benzylidene protected compound of formula IV

Synthesis method of elagolix intermediate 1-(2-fluoro-6-trifluoromethylbenzyl)-5-iodine-6-methyluracil

The invention provides a synthesis method of an elagolix intermediate 1-(2-fluoro-6-trifluoromethylbenzyl)-5-iodine-6-methyluracil and belongs to the field of drug synthesis. The synthesis method comprises the following step of: reacting a compound EG8 with elemental iodine in a solvent to obtain EG7. Compared with the prior art, the synthesis method of the elagolix intermediate 1-(2-fluoro-6-trifluoromethylbenzyl)-5-iodine-6-methyluracil is lower in cost, simpler and more convenient in synthesis route, higher in yield and purity and suitable for industrial scale-up production, and has a goodapplication prospect.

PROCESSES TO PRODUCE ELAGOLIX

The present invention relates to a scalable process for the making of elagolix, its salts and the process of intermediate compounds.

PROCESSES FOR THE PREPARATION OF URACIL DERIVATIVES

The present invention relates to processes and intermediates for preparing Gonadotropin-Releasing Hormone (GnRH) receptor antagonists of structure (VI); and stereoisomers and pharmaceutically acceptable salts thereof.