Ethyl (3S)-9,10-difluoro-2,3-dihydro-3-methyl-7-oxo-7H-pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylate
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![Ethyl (3S)-9,10-difluoro-2,3-dihydro-3-methyl-7-oxo-7H-pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/0ef459edf72e4b7a8fbdbfad495d454d.png "Ethyl (3S)-9,10-difluoro-2,3-dihydro-3-methyl-7-oxo-7H-pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylate")
Ethyl (3S)-9,10-difluoro-2,3-dihydro-3-methyl-7-oxo-7H-pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylate
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CAS No:
106939-34-8
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Formula:
C15H13F2NO4
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Chemical Name:
Ethyl (3S)-9,10-difluoro-2,3-dihydro-3-methyl-7-oxo-7H-pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylate
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Synonyms:
7H-Pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylic acid,9,10-difluoro-2,3-dihydro-3-methyl-7-oxo-,ethyl ester,(3S)-;7H-Pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylic acid,9,10-difluoro-2,3-dihydro-3-methyl-7-oxo-,ethyl ester,(S)-;Ethyl (3S)-9,10-difluoro-2,3-dihydro-3-methyl-7-oxo-7H-pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylate;Ethyl 9,10-difluoro-3-(S)-methyl-7-oxo-2,3-dihydro-7H-pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylate
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CAS No:
Ethyl (3S)-9,10-difluoro-2,3-dihydro-3-methyl-7-oxo-7H-pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylate Basic Attributes
309.26
309.26
1806241-263-5
DTXSID00356837
2934999090
Characteristics
55.8
2.2
1.4±0.1 g/cm3
257-258 °C
442.2°C at 760 mmHg
221.2±28.7 °C
1.582
-20°C Freezer
Ethyl (3S)-9,10-difluoro-2,3-dihydro-3-methyl-7-oxo-7H-pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylate Use and Manufacturing
2.6 g of sodium hydride, 50 ml of toluene and 8.8 g of ethyl acetate were sequentially placed in the reaction flask.Stir until it is gray and turbid.Then, 8.8 g of ethyl formate was slowly added dropwise, and stirring was continued while the bubbles were released.After the reaction was completed, it was filtered under reduced pressure, and the cake was dried in vacuo.Obtaining white formyl ethyl acetate sodium salt; Step 2. Add to the flask containing 50 ml of tolueneSodium formylacetate sodium salt 5.5gAnd ZIF-67ZnCoZIF catalyst 1.5g, Slowly add 7.7 g of 2, 3, 4, 5-tetrafluorobenzoyl chloride at room temperature.After the reaction is completed, slowly add S-(+)-2-aminopropanol dropwise3.2g, heated to reflux, After the reaction is completed, a water layer is added, the water layer is extracted with toluene, the organic layers are combined, and toluene is distilled off to obtain a preliminary product; Step 3.The obtained initial product was slowly added dropwise to 30 ml of a DMF solution containing 5.8 g of KF, stirred, heated to reflux, and azeotropically dehydrated.After completion of the reaction, the solvent was evaporated, and washed with water to give a brown-yellow viscous solid.Drying to get the intermediate(S)-(-)-9, 10-difluoro-2, 3-dihydro-3-methyl-7-oxo-7-hydropyrido[1, 2, 3-de][1, 4 ] Benzoxazine-6-carboxylic acid ethyl ester.
Levofloxacin intermediate
Computed Properties
Molecular Weight:309.26
XLogP3:2.2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:3
Exact Mass:309.08126422
Monoisotopic Mass:309.08126422
Topological Polar Surface Area:55.8
Heavy Atom Count:22
Complexity:524
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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Ethyl (3S)-9,10-difluoro-2,3-dihydro-3-methyl-7-oxo-7H-pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylate
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