830346-51-5

Basic information

• Product Name: tert-butyl N-[(1R)-2-[5-(2-fluoro-3-methoxy-phenyl)-3-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-4-methyl-2,6-dioxo-pyrimidin-1-yl]-1-phenyl-ethyl]carbamate
• Synonyms: Elagolix Impurity 9;Elagolix Impurity 20;N-Boc Desbutyrate Elagolix;tert-butyl N-[(1R)-2-[5-(2-fluoro-3-methoxy-phenyl)-3-[[2-fl...;TERT-BUTYL (R)-(2-(5-(2-FLUORO-3-METHOXYPHENYL)-3-(2-FLUORO-6-(TRIFLUOROMETHYL)BENZYL)-4-METHYL-2,6-;(R)-3-[2-(Boc-amino)-2-phenylethyl]-5-(2-fluoro-3-methoxyphenyl)-1-[2-fluoro-6-(trifluoromethyl)benzyl]-6-methylpyrimidine-2,4(1H,3H)-dione;3-[(2R)-N-(tert-butoxycarbonyl)amino-2-phenylethyl]-2-(2-fluoro-3-methoxyphenyl)-1-[2-fluoro-6-(trifluoromethyl)benzyl]-6-methyl-2,4(1H,3H)-pyrimidinedione;tert-butyl N-[(1R)-2-[5-(2-fluoro-3-methoxy-phenyl)-3-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-4-methyl-2,6-dioxo-pyrimidin-1-yl]-1-phenyl-ethyl]carbamate;tert-butyl (R)-(2-(5-(2-fluoro-3-methoxyphenyl)-3-(2-fluoro-6-(trifluoromethyl)benzyl)-4-methyl-2,6-dioxo-3,6-dihydropyrimidin-1(2H)-yl)-1-phenylethyl)carbamate;(R)-tert-butyl (2-(5-(2-fluoro-3-methoxyphenyl)-3-(2-fluoro-6-(trifluoromethyl)benzyl)-4-methyl-2,6-dioxo-2,3-dihydropyrimidin-1(6H)-yl)-1-phenylethyl)carbamate
• CAS NO: 830346-51-5
• Molecular Formula: C₃₃H₃₂F₅N₃O₅
• Molecular Weight: 645.6163
• Mol File: 830346-51-5.mol
• Article Data: 16

Chemical Properties

• Density: 1.309g/cm³
• Refractive Index: 1.553
• Storage Temp.: -20°C Freezer
• Solubility: Dichloromethane; Methanol
• PKA: 11.50±0.46(Predicted)
• CAS DataBase Reference: tert-butyl N-[(1R)-2-[5-(2-fluoro-3-methoxy-phenyl)-3-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-4-methyl-2,6-dioxo-pyrimidin-1-yl]-1-phenyl-ethyl]carbamate(CAS DataBase Reference)
• NIST Chemistry Reference: tert-butyl N-[(1R)-2-[5-(2-fluoro-3-methoxy-phenyl)-3-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-4-methyl-2,6-dioxo-pyrimidin-1-yl]-1-phenyl-ethyl]carbamate(830346-51-5)
• EPA Substance Registry System: tert-butyl N-[(1R)-2-[5-(2-fluoro-3-methoxy-phenyl)-3-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-4-methyl-2,6-dioxo-pyrimidin-1-yl]-1-phenyl-ethyl]carbamate(830346-51-5)

Safety Data

• Hazardous Substances Data: 830346-51-5(Hazardous Substances Data)

Usage

Uses

N-Boc Desbutyrate Elagolix is an intermediate for the synthesis of Elagolix-d6 Sodium Salt (E501016), which is the labelled analogue of Elagolix Sodium Salt (E501018), a novel uracil phenylethylamine that acts as potent human gonadotropin-?releasing hormone receptor (hGnRH-?R) antagonist.

Upstream product

• 1150560-59-0 5-(2-fluoro-3-methoxyphenyl)-1-{[2-fluoro-6-(trifluoromethyl)phenyl]methyl}-6-methylpyrimidine-2,4(1H,3H)-dione 
• 126610-77-3 (R)-tert-butyl N-<1-phenyl-2-<(p-toluenesulfonyl)oxy>ethyl>carbamate 
• 102089-75-8 (-)-(1R)-1-[(1',1'-dimethylethoxycarbonyl)amino]-2-(methylsulfonyl)oxy-1-phenylethane 
• 830346-48-0 5-bromo-1-[2-fluoro-6-(trifluoromethyl)benzyl]-6-methylpyrimidine-2,4-(1H,3H)-dione 
• 830346-46-8 N-{[2-fluoro-6-(trifluoromethyl)phenyl]methyl}urea 
• 239087-06-0 (2-fluoro-6-(trifluoromethyl) phenyl)methanamine 
• 295376-21-5 2-fluoro-3-methoxy-1-bromobenzene 
• 1080673-30-8 2-fluoro-1-iodo-3-methoxybenzene 
• 67341-01-9 (R)-N-(tert-butoxycarbonyl)phenylglycinol 
• 137102-65-9 (R)-(2-amino-1-phenyl-ethyl)-carbamic acid tert-butyl ester 
• 134364-69-5 2.3-difluoroanisole 
• 352303-67-4 (2-fluoro-3-methoxyphenyl)boronic acid 
• 15018-56-1 5-bromo-6-methyluracil 
• 830346-49-1 {(R)-2-[5-bromo-3-(2-fluoro-6-trifluoromethyl-benzyl)-4-methyl-2,6-dioxo-3,6-dihydro-2H-pyrimidin-1-yl]-1-phenyl-ethyl}-carbamic acid tert-butyl ester 

Downstream Products

• 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 
• 1092071-03-8 3-[(2R)-amino-2-phenylethyl]-5-(2-fluoro-3-methoxyphenyl)-1-[2-fluoro-6-(trifluoromethyl)benzyl]-6-methyl-2,4(1H,3H)-pyrimidinedione trifluoroacetate 
• 830346-50-4 3-[(2R)-amino-2-phenylethyl]-5-(2-fluoro-3-methoxyphenyl)-1-[2-fluoro-6-(trifluoromethyl)benzyl]-6-methyl-2,4(1H,3H)-pyrimidinedione trifluoroacetate 

Relevant articles and documents

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

The present invention relates to an improved process for the preparation of 4- ({(1R) -2- [5- (2-fluoro- 3- methoxy phenyl) – 3 - {[ 2-fluoro- 6-(trifluoro methyl) phenyl] methyl} -4-methyl- 2,6-dioxo- 3,6-dihydropyrimidin-1(2H)-yl]-1-phenylethyl}amino) butanoic acid of formula (I) or its pharmaceutically acceptable salts. The compound of formula (I) is represented by the following structural formula.

AN IMPROVED PROCESS FOR THE PREPARATION OF ELAGOLIX SODIUM

An improved process for the preparation of Elagolix Sodium having the structural formula (I). The present invention relates to highly pure compound of formula (VI) as a solid which is useful in the preparation of Elagolix sodium. The present invention pro

PROCESS FOR THE PREPARATION OF ELAGOLIX SODIUM AND INTERMEDIATES THEREOF

The present invention relates to compounds of Formula A, isomers, polymorphs and process of preparation thereof, wherein, S is a pharmaceutically acceptable salt, R is selected from hydrogen or C1-C3 alkyl group substituted with Rsu