102089-75-8

Basic information

• Product Name: N-[(1R)-2-[(Methylsulfonyl)oxy]-1-phenylethyl]carbamic acid 1,1-dimethylethyl ester
• Synonyms: N-[(1R)-2-[(Methylsulfonyl)oxy]-1-phenylethyl]carbamic acid 1,1-dimethylethyl ester
• CAS NO: 102089-75-8
• Molecular Formula: C₁₄H₂₁NO₅S
• Molecular Weight: 315.38524
• Mol File: 102089-75-8.mol
• Article Data: 21

Chemical Properties

• Melting Point: 112-114℃
• Boiling Point: 497.2±45.0 °C(Predicted)
• Appearance: /
• Density: 1.204±0.06 g/cm3(Predicted)
• Storage Temp.: -20°C Freezer
• Solubility: Chloroform (Slightly, Sonicated), Dichloromethane; Ethyl Acetate; Methanol (Slig
• PKA: 11.11±0.46(Predicted)
• CAS DataBase Reference: N-[(1R)-2-[(Methylsulfonyl)oxy]-1-phenylethyl]carbamic acid 1,1-dimethylethyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: N-[(1R)-2-[(Methylsulfonyl)oxy]-1-phenylethyl]carbamic acid 1,1-dimethylethyl ester(102089-75-8)
• EPA Substance Registry System: N-[(1R)-2-[(Methylsulfonyl)oxy]-1-phenylethyl]carbamic acid 1,1-dimethylethyl ester(102089-75-8)

Safety Data

• Hazardous Substances Data: 102089-75-8(Hazardous Substances Data)

Usage

Uses

1,1-Dimethylethyl (R)-[2-[(methylsulfonyl)oxy]-1-phenylethyl]carbamate is a proposed intermediate in 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

• 67341-01-9 (R)-N-(tert-butoxycarbonyl)phenylglycinol 
• 124-63-0 methanesulfonyl chloride 
• 24424-99-5 di-tert-butyl dicarbonate 
• 56613-80-0 D-2-phenylglycinol 
• 141190-94-5 (R)-N-(tert-butoxycarbonyl)phenylglycine methyl ester 
• 102089-74-7 tert-butyl 2-hydroxy-1-phenylethylcarbamate 
• 7143-01-3 Methanesulfonic anhydride 

Downstream Products

• 126568-44-3 (S)-3-(N-tert-butoxycarbonylamino)-3-phenylpropanenitrile 
• 140373-21-3 (R)-1-(tert-butoxycarbonylamino)-1-phenyl-2-thiomethyl-ethane 
• 289051-61-2 (-)-(2R)-[(1',1'-dimethylethoxycarbonyl)amino]-2-phenylethanethiol 
• 90319-52-1 (4R)-phenyl-2-oxazolidinone 
• 140372-83-4 (+)-(1R)-1-phenyl-2-(phenylthio)ethylamine 
• 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 
• 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 
• 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 
• 832720-84-0 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 
• 134557-77-0 (R)-2-azido-1-phenylethan-1-amine 

Relevant articles and documents

Discovery and Optimization of Phosphopantetheine Adenylyltransferase Inhibitors with Gram-Negative Antibacterial Activity

In the preceding manuscript [Moreau et al. 2018, 10.1021/acs.jmedchem.7b01691] we described a successful fragment-based lead discovery (FBLD) strategy for discovery of bacterial phosphopantetheine adenylyltransferase inhibitors (PPAT, CoaD). Following several rounds of optimization two promising lead compounds were identified: triazolopyrimidinone 3 and 4-azabenzimidazole 4. Here we disclose our efforts to further optimize these two leads for on-target potency and Gram-negative cellular activity. Enabled by a robust X-ray crystallography system, our structure-based inhibitor design approach delivered compounds with biochemical potencies 4-5 orders of magnitude greater than their respective fragment starting points. Additional optimization was guided by observations on bacterial permeability and physicochemical properties, which ultimately led to the identification of PPAT inhibitors with cellular activity against wild-type E. coli.

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

Elagolix Sodium Compositions and Processes

The present invention relates to compositions of elagolix sodium, and process and intermediates for the preparation thereof.