ETHYL 2-FLUOROBENZOYLFORMATE
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ETHYL 2-FLUOROBENZOYLFORMATE
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CAS No:
1813-93-0
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Formula:
C10H9FO3
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Chemical Name:
ETHYL 2-FLUOROBENZOYLFORMATE
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Synonyms:
Ethyl 2-fluorobenzoylformate;ethyl 2-(2-fluorophenyl)-2-oxoacetate;MFCD09801420;ETHYL (2-FLUOROPHENYL)(OXO)ACETATE;2-Fluoro-oxo-benzeneacetic acid ethyl ester;Benzeneacetic acid, 2-fluoro-alpha-oxo-, ethyl ester;Ethyl2-fluorobenzoylformate;PubChem16722;SCHEMBL2498608;CTK4D7860
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CAS No:
Characteristics
43.4
2.1
1.213±0.06 g/cm3(Predicted)
149-152 °C(Press: 30 Torr)
114.3ºC
1.497
0.00654mmHg at 25°C
ETHYL 2-FLUOROBENZOYLFORMATE Use and Manufacturing
To a stirring solution of 1- bromo-2-fluorobenzene (lOg, 57 mmol) in tetrahydrofuran (100 mL) at -70 °C under nitrogen was added a solution of n-butyllithium (25 mL, 62.9 mmol, 2.5 M in hexane). After 20 minutes, this solution was added to a solution of diethyl oxalate (39 mL, 285 mmol) in tetrahydrofuran (100 mL) at -70 °C. Upon complete addition, the reaction mixture was allowed to warm to ambient temperature. After one hour at ambient temperature, the reaction mixture was poured into water (150 mL) and the mixture was extracted with ethyl acetate (2 x 100 mL). The organic layers were combined and concentrated at reduced pressure. The resulting crude product was purified by column chromatography through silica gel cartridge (240 g) eluting with ethyl acetate/hexane(1 :49) to give the product as a colorless oil (5.6 g, 50percent). 1H NMR (CDC1
Computed Properties
Molecular Weight:196.17
XLogP3:2.1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:196.05357231
Monoisotopic Mass:196.05357231
Topological Polar Surface Area:43.4
Heavy Atom Count:14
Complexity:227
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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