4-FLUOROPHENYLACETICACIDETHYLESTER
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4-FLUOROPHENYLACETICACIDETHYLESTER
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CAS No:
587-88-2
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Formula:
C10H11FO2
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Chemical Name:
4-FLUOROPHENYLACETICACIDETHYLESTER
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Synonyms:
ethyl(4-fluorophenyl)acetate;Ethyl4-trifluorophenylacetate;ethyl2-(4-fluorophenyl)acetate;(4-Flurophenyl)aceticacidethylester;4-FLUOROPHENYLACETICACIDETHYLESTER
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CAS No:
4-FLUOROPHENYLACETICACIDETHYLESTER Use and Manufacturing
p-Fluorotoluene (1.65 g), ethanol (46 mg), di-tert-butyl peroxide (73 mg, 1 equivalent), and Pd(Xantphos)ClTo a solution of p-fluorophenylacetic acid (50 g, 324 mmol)in absolute EtOH (300 mL) add catalytic p-toluene sulfonic acid (7 g) and heat the resulting mixture to reflux for 30 min. Concentrate the reaction in vacuo and purify by flash chromatography (100percent chloroform) to yield the desired product (59 g, 100percent) as a clear oil. Several drops of concentrated hydrochloric acid were added to an ethanol (15 mL) solution of phenylaceticacid (770 mg, 5.00 mmol), and the mixture was refluxed with heating overnight.[0130] A saturated sodium bicarbonate solution was added to the reaction mixture at 0°C until the aqueous layerbecame neutral.[0131] After evaporating ethanol, the organic layer was extracted with methylene chloride, dried over sodium sulfate, and filtered, and the solvent was evaporated to obtain an ethyl ester compound (colorless crystals) (910 mg, 100percent)A mixture of 2-(4-fluorophenyl)acetic acid (10.8 g, 70 mmol) and concentrated H2SO4 (1 ML) in ethanol (150 ML) was refluxed for 8 hours..
Computed Properties
Molecular Weight:182.19
XLogP3:2.4
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:182.07430775
Monoisotopic Mass:182.07430775
Topological Polar Surface Area:26.3
Heavy Atom Count:13
Complexity:162
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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InquiryUnit Price: $100 /KG EXWCAS No.: 587-88-2Grade: Pharmaceutical GradeContent: 99%
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