830346-49-1

Basic information

• Product Name: Carbamic acid, N-[(1R)-2-[5-bromo-3-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-3,6-dihydro-4-methyl-2,6-dioxo-1(2H)-pyrimidinyl]-1-phenylethyl]-, 1,1-dimethylethyl ester
• Synonyms: Carbamic acid, N-[(1R)-2-[5-bromo-3-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-3,6-dihydro-4-methyl-2,6-dioxo-1(2H)-pyrimidinyl]-1-phenylethyl]-, 1,1-dimethylethyl ester;N-[(1R)-2-[5-Bromo-3-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-3,6-dihydro-4-methyl-2,6-dioxo-1(2H)-pyrimidinyl]-1-phenylethyl]carbamic acid 1,1-dimethylethyl ester
• CAS NO: 830346-49-1
• Molecular Formula: C₂₆H₂₆BrF₄N₃O₄
• Molecular Weight: 602.4158328
• Mol File: 830346-49-1.mol
• Article Data: 10

Chemical Properties

• Appearance: /
• Density: 1.446g/cm³
• Refractive Index: 1.56
• Storage Temp.: -20°C Freezer, Under inert atmosphere
• Solubility: Methanol; Ethyl Acetate; Dichloromethane
• PKA: 11.50±0.46(Predicted)
• CAS DataBase Reference: Carbamic acid, N-[(1R)-2-[5-bromo-3-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-3,6-dihydro-4-methyl-2,6-dioxo-1(2H)-pyrimidinyl]-1-phenylethyl]-, 1,1-dimethylethyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: Carbamic acid, N-[(1R)-2-[5-bromo-3-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-3,6-dihydro-4-methyl-2,6-dioxo-1(2H)-pyrimidinyl]-1-phenylethyl]-, 1,1-dimethylethyl ester(830346-49-1)
• EPA Substance Registry System: Carbamic acid, N-[(1R)-2-[5-bromo-3-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-3,6-dihydro-4-methyl-2,6-dioxo-1(2H)-pyrimidinyl]-1-phenylethyl]-, 1,1-dimethylethyl ester(830346-49-1)

Safety Data

• Hazardous Substances Data: 830346-49-1(Hazardous Substances Data)

Usage

Uses

{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 is an intermediate used in the synthesis of Elagolix Methoxy-d3 Sodium Salt (E501024), which is the labeled analogue of Elagolix (E50108), a novel uracil phenylethylamine that acts as potent human gonadotropin-?releasing hormone receptor (hGnRH-?R) antagonist.

InChI:InChI=1/C26H26BrF4N3O4/c1-15-21(27)22(35)34(14-20(16-9-6-5-7-10-16)32-23(36)38-25(2,3)4)24(37)33(15)13-17-18(26(29,30)31)11-8-12-19(17)28/h5-12,20H,13-14H2,1-4H3,(H,32,36)/t20-/m0/s1

Upstream product

• 830346-48-0 5-bromo-1-[2-fluoro-6-(trifluoromethyl)benzyl]-6-methylpyrimidine-2,4-(1H,3H)-dione 
• 102089-75-8 (-)-(1R)-1-[(1',1'-dimethylethoxycarbonyl)amino]-2-(methylsulfonyl)oxy-1-phenylethane 
• 67341-01-9 (R)-N-(tert-butoxycarbonyl)phenylglycinol 
• 35809-67-7 (Z)-3-Phenoxycarbonylamino-but-2-enoic acid ethyl ester 
• 830346-46-8 N-{[2-fluoro-6-(trifluoromethyl)phenyl]methyl}urea 
• 239087-06-0 (2-fluoro-6-(trifluoromethyl) phenyl)methanamine 
• 830346-47-9 1-[2-fluoro-6-(trifluoromethyl)benzyl]-6-methyl-2,4(1H,3H)-pyrimidinedione 
• 352303-66-3 5-bromo-1-(2,6-difluoro-benzyl)-6-methyl-1H-pyrimidine-2,4-dione 

Downstream Products

• 830346-51-5 (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)carbamic acid tert-butyl ester 
• 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 
• 832720-85-1 3-[2(R)-{3-cyanopropylamino}-2-phenylethyl]-5-(2-fluoro-3-methoxyphenyl)-1-[2-fluoro-6-(trifluoromethyl)benzyl]-6-methylpyrimidine-2,4-(1H,3H)-dione 
• 1308376-77-3 3-{4-[3-((R)-2-amino-2-phenyl-ethyl)-1-(2-fluoro-6-trifluoromethyl-benzyl)-6-methyl-2,4-dioxo-1,2,3,4-tetrahydro-pyrimidin-5-yl]-piperazin-1-ylmethyl}-benzamide 
• 1308376-56-8 (R)-3-(2-amino-2-phenylethyl)-1-(2-fluoro-6-(trifluoromethyl)benzyl)-6-methyl-5-(4-(3-(trifluoromethoxy)benzyl)piperazin-1-yl)pyrimidine-2,4(1H,3H)-dione 
• 1308376-54-6 (R)-3-(2-amino-2-phenylethyl)-1-(2-fluoro-6-(trifluoromethyl)-benzyl)-6-methyl-5-(4-(3-nitrobenzyl)piperazin-1-yl)pyrimidine-2,4-(1H,3H)-dione 
• 1308376-67-1 2-{4-[3-((R)-2-amino-2-phenyl-ethyl)-1-(2-fluoro-6-trifluoromethyl-benzyl)-6-methyl-2,4-dioxo-1,2,3,4-tetrahydro-pyrimidin-5-yl]-piperazin-1-ylmethyl}-benzoic acid methyl ester 
• 1308376-76-2 (R)-3-(2-amino-2-phenylethyl)-1-(2-fluoro-6-(trifluoromethyl)benzyl)-5-(4-(2-fluorobenzyl)piperazin-1-yl)-6-methylpyrimidine-2,4(1H,3H)-dione 
• 1308375-93-0 {(R)-2-[3-(2-fluoro-6-trifluoromethyl-benzyl)-4-methyl-2,6-dioxo-5-piperazin-1-yl-3,6-dihydro-2H-pyrimidin-1-yl]-1-phenyl-ethyl}-carbamic acid tert-butyl ester 
• 1308380-54-2 4-((R)-2-{3-(2-fluoro-6-trifluoromethyl-benzyl)-4-methyl-5-[4-(3-nitro-benzyl)-piperazin-1-yl]-2,6-dioxo-3,6-dihydro-2H-pyrimidin-1-yl}-1-phenyl-ethylamino)-butyric acid ethyl ester 
• 1308380-90-6 (R)-methyl 3-((4-(3-(2-((tert-butoxycarbonyl)amino)-2-phenylethyl)-1-(2-fluoro-6-(trifluoromethyl)benzyl)-6-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)piperazin-1-yl)methyl)benzoate 

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