3-(tert-Butyl)-6-(ethylthio)-1,3,5-triazine-2,4(1H,3H)-dione
- Product Name
- 3-(tert-Butyl)-6-(ethylthio)-1,3,5-triazine-2,4(1H,3H)-dione
- CAS No.
- 1360105-53-8
- Chemical Name
- 3-(tert-Butyl)-6-(ethylthio)-1,3,5-triazine-2,4(1H,3H)-dione
- Synonyms
- 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;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;1,3,5-Triazine-2,4(1H,3H)-dione, 3-(1,1-dimethylethyl)-6;3-Sanchoyl-6-(sulfide)-1,3,5-Sanji - 2,4 (1H, 3H) - Niket;3-(tert-Butyl)-6-(sulfanyl)-1,3,5-triazine-2,4(1H,3H)-dione;3-tert-butyl-6-(Ethylthio)-1,3,5-Triazine-2,4(1H,3H)-diketone;1,3,5-Triazine-2,4(1H,3H)-dione, 3-(1,1-dimethylethyl)-6-(ethylthio)-
- CBNumber
- CB58093139
- Molecular Formula
- C9H15N3O2S
- Formula Weight
- 229.3
- MOL File
- 1360105-53-8.mol
3-(tert-Butyl)-6-(ethylthio)-1,3,5-triazine-2,4(1H,3H)-dione Property
- 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
Hazard and Precautionary Statements (GHS)
- Symbol(GHS)
-
- Signal word
- Warning
- Hazard statements
-
H302Harmful if swallowed
H315Causes skin irritation
H319Causes serious eye irritation
H335May cause respiratory irritation
- Precautionary statements
-
P261Avoid breathing dust/fume/gas/mist/vapours/spray.
P301+P312IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.
P302+P352IF ON SKIN: wash with plenty of soap and water.
P304+P340IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.
P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
3-(tert-Butyl)-6-(ethylthio)-1,3,5-triazine-2,4(1H,3H)-dione Chemical Properties,Usage,Production
Uses
3-(tert-Butyl)-6-(ethylthio)-1,3,5-triazine-2,4(1H,3H)-dione is used as Ensitrelvir intermediates.
Acquired resistance
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.
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.
3-(tert-Butyl)-6-(ethylthio)-1,3,5-triazine-2,4(1H,3H)-dione Preparation Products And Raw materials
Raw materials
Preparation Products
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View Lastest Price from 3-(tert-Butyl)-6-(ethylthio)-1,3,5-triazine-2,4(1H,3H)-dione manufacturers
- Product
- 1,3,5-Triazine-2,4(1H,3H)-dione, 3-(1,1-dimethylethyl)-6-(ethylthio)- 1360105-53-8
- Price
- US $9.90-9.90/g
- Min. Order
- 1g
- Purity
- 99%
- Supply Ability
- 10kg
- Release date
- 2023-03-30
- Product
- 1,3,5-Triazine-2,4(1H,3H)-dione, 3-(1,1-dimethylethyl)-6-(ethylthio)- 1360105-53-8
- Price
- US $9.90-9.90/g
- Min. Order
- 1g
- Purity
- 99%
- Supply Ability
- 10kg
- Release date
- 2023-03-30
- Product
- 1,3,5-Triazine-2,4(1H,3H)-dione, 3-(1,1-dimethylethyl)-6-(ethylthio)- 1360105-53-8
- Price
- US $0.00/KG
- Min. Order
- 1KG
- Purity
- 99%
- Supply Ability
- 1 ton
- Release date
- 2023-11-02