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

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

Used in Pharmaceutical Industry:
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 is used as an intermediate in the synthesis of Elagolix-d6 Sodium Salt (E501016), a labelled analogue of Elagolix Sodium Salt (E501018). Elagolix Sodium Salt is a novel uracil phenylethylamine that acts as a potent human gonadotropin-releasing hormone receptor (hGnRH-R) antagonist. This antagonistic activity makes it a potential candidate for the treatment of various hormonal disorders and conditions related to the gonadotropin-releasing hormone system.
Used in Research and Development:
Due to its unique structure and potential biological activity, 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 may also be used in research and development for the discovery of new drugs and therapeutic agents. Its synthesis and modification can provide valuable insights into the structure-activity relationships of hGnRH-R antagonists and other related compounds, potentially leading to the development of more effective and targeted treatments for various medical conditions.

Upstream product

• 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 
• 352303-67-4 (2-fluoro-3-methoxyphenyl)boronic acid 
• 137102-65-9 (R)-(2-amino-1-phenyl-ethyl)-carbamic acid tert-butyl ester 
• 67341-01-9 (R)-N-(tert-butoxycarbonyl)phenylglycinol 
• 1080673-30-8 2-fluoro-1-iodo-3-methoxybenzene 
• 295376-21-5 2-fluoro-3-methoxy-1-bromobenzene 
• 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 
• 830346-47-9 1-[2-fluoro-6-(trifluoromethyl)benzyl]-6-methyl-2,4(1H,3H)-pyrimidinedione 
• 15018-56-1 5-bromo-6-methyluracil 
• 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 

Downstream Products

• 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 
• 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 
• 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 

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