CAS 101987-86-4

ethyl 3-(3-chloro-2,4,5-trifluorophenyl)-3-oxopropanoate

Codes: DELAF-007, SITAF-001

Application context (from source-drug indications)

Community-acquired bacterial pneumoniaDelafloxacinCommunity-acquired pneumoniaDelafloxacinBacterial skin diseaseDelafloxacinSkin and skin structure infectionDelafloxacinCystitisSitafloxacin HydrateSinusitisSitafloxacin HydrateTonsillitisSitafloxacin HydratePneumoniaSitafloxacin HydrateCervicitisSitafloxacin HydratePericoronitisSitafloxacin Hydrate

Source drugs (routes using this intermediate)

Drug	Tier	Expiry
Delafloxacin	Tier C — Watch / trade	2029
Sitafloxacin Hydrate	Tier C — Watch / trade	-

Position in synthesis routes (up/downstream chain)

Ordered by route registration; left → right is the synthesis direction. The highlighted node is the current CAS; others link to their own profiles.

DelafloxacinOptimised routesteps: 6total yield: 3.0 g

3,5-difluoropyridine-2,6-diamine→azetidin-3-ol hydrochloride→ethyl 3-(3-chloro-2,4,5-trifluorophenyl)-3-oxopropanoate→(Z)-ethyl 2-(3-chloro-2,4,5-trifluorobenzoyl)-3-ethoxyacrylate→(Z)-ethyl 3-((6-amino-3,5-difluoropyridin-2-yl)amino)-2-(3-chloro-2,4,5-trifluorobenzoyl)acrylate→ethyl 1-(6-amino-3,5-difluoropyridin-2-yl)-8-chloro-6,7-difluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate→ethyl 1-(6-amino-3,5-difluoropyridin-2-yl)-8-chloro-6-fluoro-7-(3-hydroxyazetidin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylate→sodium 1-(6-amino-3,5-difluoropyridin-2-yl)-8-chloro-6-fluoro-7-(3-hydroxyazetidin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylate

Sitafloxacin HydrateOriginator routesteps: 18total yield: 7.35 g

ethyl 3-(3-chloro-2,4,5-trifluorophenyl)-3-oxopropanoate→(Z)-ethyl 2-(3-chloro-2,4,5-trifluorobenzoyl)-3-ethoxyacrylate→tert-butyl ((1R,2S)-2-fluorocyclopropyl)carbamate→ethyl (Z)-2-(3-chloro-2,4,5-trifluorobenzoyl)-3-(((1R,2S)-2-fluorocyclopropyl)amino)acrylate→ethyl 8-chloro-6,7-difluoro-1-((1R,2S)-2-fluorocyclopropyl)-4-oxo-1,4-dihydroquinoline-3-carboxylate→8-chloro-6,7-difluoro-1-((1R,2S)-2-fluorocyclopropyl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid→SITAF-007→7-((S)-7-((tert-butoxycarbonyl)amino)-5-azaspiro[2.4]heptan-5-yl)-8-chloro-6-fluoro-1-((1R,2S)-2-fluorocyclopropyl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid→2-fluorocyclopropane-1-carboxylic acid→(R)-1-phenylethan-1-amine→2-fluoro-N-((R)-1-phenylethyl)cyclopropane-1-carboxamide→2-fluoro-N-((R)-1-phenylethyl)cyclopropane-1-carboxamide→(1S,2S)-2-fluoro-N-((R)-1-phenylethyl)cyclopropane-1-carboxamide→ethyl 3-oxobutanoate→1,2-dibromoethane→ethyl 1-acetylcyclopropane-1-carboxylate→ethyl 1-(2-bromoacetyl)cyclopropane-1-carboxylate→(R)-5-(1-phenylethyl)-5-azaspiro[2.4]heptane-4,7-dione→(R,Z)-7-(hydroxyimino)-5-(1-phenylethyl)-5-azaspiro[2.4]heptan-4-one→(S)-7-amino-5-((R)-1-phenylethyl)-5-azaspiro[2.4]heptan-4-one→(S)-5-((R)-1-phenylethyl)-5-azaspiro[2.4]heptan-7-amine→tert-butyl ((S)-5-((R)-1-phenylethyl)-5-azaspiro[2.4]heptan-7-yl)carbamate

Intermediates available on this site

Side-by-side comparison of all listed offers on this CAS; price bands are list-price ranges, final price subject to RFQ confirmation.

Supplier	Product	Price band	MOQ	Lead time	Qualifications	Action
Unibest Nantong cGMP Site	Carbamic acid, (7S)-5-azaspiro[2.4]hept-7-yl-, 1,1-dimethylethyl ester (9CI) Pharmaceutical Intermediates	On request	On request	On request	—

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