Ethyl 6-fluoro-1-methyl-4-oxo-7-(1-piperazinyl)-1H,4H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylate
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![Ethyl 6-fluoro-1-methyl-4-oxo-7-(1-piperazinyl)-1H,4H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220805/1e7c376c975c40fb9fb05f393efaad91.png "Ethyl 6-fluoro-1-methyl-4-oxo-7-(1-piperazinyl)-1H,4H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylate")
Ethyl 6-fluoro-1-methyl-4-oxo-7-(1-piperazinyl)-1H,4H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylate
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CAS No:
113028-17-4
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Formula:
C18H20FN3O3S
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Chemical Name:
Ethyl 6-fluoro-1-methyl-4-oxo-7-(1-piperazinyl)-1H,4H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylate
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Synonyms:
1H,4H-[1,3]Thiazeto[3,2-a]quinoline-3-carboxylic acid,6-fluoro-1-methyl-4-oxo-7-(1-piperazinyl)-,ethyl ester;Ethyl 6-fluoro-1-methyl-4-oxo-7-(1-piperazinyl)-1H,4H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylate
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CAS No:
Ethyl 6-fluoro-1-methyl-4-oxo-7-(1-piperazinyl)-1H,4H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylate Basic Attributes
377.43
377.43
-0
2933990090
Characteristics
87.2
2.7
1.44±0.1 g/cm3(Predicted)
224 °C
579.1±50.0 °C(Predicted)
305.2±30.1 °C
1.679
Ethyl 6-fluoro-1-methyl-4-oxo-7-(1-piperazinyl)-1H,4H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylate Use and Manufacturing
50 g of ethyl 6, 7-difluoro-1-methyl-4-oxo-4H- [1, 3] thiazine [3, 2-a] Dissolve in 5 volumes of DMSO at 60°C, add 40 g of piperazine, and stir at 60°C for 4 hours. The mixture was cooled to room temperature, then 5 volumes of acetonitrile were added and stirring was continued for 4 hours at room temperature. The precipitate was collected by filtration and dried to give 6-fluoro-7-piperazine-1-methyl-4-oxo- [1, 3] thiazacyclo [3, 2-a] Ethyl acid 52.8g, yield 87percent. The yield of 6-fluoro-7-piperazine-1-methyl-4-oxo- [1, 3] thiazacyclo [3, 2-a] quinoline-3-carboxylic acid B Ester purity 99percent.Take the ethyl 6, 7‐difluoro‐1‐methyl‐4‐oxo‐1H, 4H‐[1, 3]thiazeto[3, 2‐a]quinoline‐3‐carboxylate 50g, Dissolve in 5 volumes of DMSO at 60°C.Then add 40 g of piperazine, Stir at 60°C for 4 hours.Cool the mixture to room temperatureThen add 5 volumes of acetonitrile, Stirring was continued for 4 hours at room temperature.Filter, collect the precipitate, dry, This gives 52.8 g of ethyl 6‐fluoro‐1‐methyl‐4‐oxo‐7‐(piperazin‐1‐yl)‐1H, 4H‐[1, 3]thiazeto[3, 2‐a]quinoline‐3‐carboxylate.Yield 87percent.HPLC detection, ethyl 6‐fluoro‐1‐methyl‐4‐oxo‐7‐(piperazin‐1‐yl)‐1H, 4H‐[1, 3]thiazeto[3, 2‐a]quinoline‐3‐carboxylate purity 99percent .5, 6-difluoro-1-methyl-4-oxo-4H-[1 , 3]-thiazeto-[3, 2-a]-quinoline-3-carboxylic acid ethyl ester of formula (II) (100 gms, 0.321 moles) was stirred in 500 ml of DMF at room temperature. Piperazine (76 gms, 0.882 moles) was added at room temperature and stirred for 10 minutes. The temperature was slowly raised to 50-55°C and the reaction mass was stirred at 50-55°C for 5 hours. After completion of the reaction, the reaction mass was cooled to 25-30°C and stirred for 2 hours. The reaction mass was further chilled to 10-15°C and stirred for 2 hours. The precipitated solid was filtered, washed of chilled DMF (2 x 50 ml). The solid was slurry washed with water (300 ml), filtered, washed with water ( 2 x 100 ml) and dried under vacuum at 70-75°C to yield the title compound [90 gms, 74 percent yield, 95percent HPLC purity].
Computed Properties
Molecular Weight:377.4
XLogP3:2.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:4
Exact Mass:377.12094084
Monoisotopic Mass:377.12094084
Topological Polar Surface Area:87.2
Heavy Atom Count:26
Complexity:637
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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Ethyl 6-fluoro-1-methyl-4-oxo-7-(1-piperazinyl)-1H,4H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylate
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