3-(tert-Butyl)-6-(ethylthio)-1,3,5-triazine-2,4(1H,3H)-dione CAS 1360105-53-8

Introduction：Basic information about 3-(tert-Butyl)-6-(ethylthio)-1,3,5-triazine-2,4(1H,3H)-dione CAS 1360105-53-8, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

3-(tert-Butyl)-6-(ethylthio)-1,3,5-triazine-2,4(1H,3H)-dione Basic information

• Product Name: 3-(tert-Butyl)-6-(ethylthio)-1,3,5-triazine-2,4(1H,3H)-dione
• Synonyms: 1,3,5-Triazine-2,4(1H,3H)-dione, 3-(1,1-dimethylethyl)-6-(ethylthio)-;3-tert-butyl-6-(ethylthio)-1,3,5-triazine-2,4(1H,3H)-dione;3-(1,1-DIMETHYLETHYL)-6-(ETHYLTHIO)-1,3,5-TRIAZINE-2,4(1H,3H)-DIONE;3-Sanchoyl-6-(sulfide)-1,3,5-Sanji - 2,4 (1H, 3H) - Niket;1,3,5-Triazine-2,4(1H,3H)-dione, 3-(1,1-dimethylethyl)-6;6-(ethylthio)-3-t-butyl-1,3,5-triazine-2,4(1H,3H)-dion;3-TERT-BUTYL-6-ETHYLSULFANYL-1H-1,3,5-TRIAZINE-2,4-DIONE;3-(tert-Butyl)-6-(sulfanyl)-1,3,5-triazine-2,4(1H,3H)-dione
• CAS: 1360105-53-8
• MF: C9H15N3O2S
• MW: 229.3
• EINECS: 200-001-8
• Product Categories: 1;S-217622;1360105-53-8
• Mol File: 1360105-53-8.mol

3-(tert-Butyl)-6-(ethylthio)-1,3,5-triazine-2,4(1H,3H)-dione Chemical Properties

• density: 1.27±0.1 g/cm3(Predicted)
• storage temp.: 2-8°C, stored under nitrogen
• pka: 5.15±0.70(Predicted)
• Appearance: White to off-white Solid
• InChI: InChI=1S/C9H15N3O2S/c1-5-15-6-10-7(13)12(8(14)11-6)9(2,3)4/h5H2,1-4H3,(H,10,11,13,14)
• InChIKey: BDGLMLJBANMNCP-UHFFFAOYSA-N
• SMILES: N1C(SCC)=NC(=O)N(C(C)(C)C)C1=O

3-(tert-Butyl)-6-(ethylthio)-1,3,5-triazine-2,4(1H,3H)-dione Usage And Synthesis

Uses

3-(tert-Butyl)-6-(ethylthio)-1,3,5-triazine-2,4(1H,3H)-dione is used as Ensitrelvir intermediates.

Synthesis

T-Butyl isocyanate (1.2 mL, 10.5 mmol) and DBU (1.9 mL, 12.8 mmol) were added to mixture of S-ethylthiourea hydrobromate (1.85 g, 10 mmol) and DMF (9.3 mL) under ice-cooling, and the resulting mixture was stirred for 6 hours. 1,1′-Carbonyldiimidazole (1.95 g, 12 mmol) and DBU (1.9 mL, 12.8 mmol) were added to the reaction mixture under ice-cooling, and the mixture was stirred for 2 hours. 2 mol/L Hydrochloric acid (80 mL) was added to the reaction mixture under ice-cooling over 50 minutes, and the generated powder was collected by filtration. The powder was dissolved in ethyl acetate, dried over anhydrous magnesium sulfate, and concentrated in vacuo to give 3-(tert-Butyl)-6-(ethylthio)-1,3,5-triazine-2,4(1H,3H)-dione (1.15 g, yield: 50%) as pale brown powder.