ChemicalBook > CAS DataBase List > BROMO-(4-FLUORO-PHENYL)-ACETIC ACID ETHYL ESTER

BROMO-(4-FLUORO-PHENYL)-ACETIC ACID ETHYL ESTER

Product Name: BROMO-(4-FLUORO-PHENYL)-ACETIC ACID ETHYL ESTER
CAS No.: 712-52-7
Chemical Name: BROMO-(4-FLUORO-PHENYL)-ACETIC ACID ETHYL ESTER
Synonyms: ETHYL BROMO-(4-FLUORO-PHENYL)-ACETATE;a-bromo-4-fluorophenylacetic acid ethyl ester;BROMO-(4-FLUORO-PHENYL)-ACETIC ACID ETHYL ESTER;2-Propenoicacid,3-(4-fluorophenyl)-2-methyl-,(4E)-;Benzeneacetic acid, α-bromo-4-fluoro-, ethyl ester;Benzeneacetic acid, .alpha.-broMo-4-fluoro-, ethyl ester
CBNumber: CB11011123
Molecular Formula: C10H10BrFO2
Formula Weight: 261.09
MOL File: 712-52-7.mol

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BROMO-(4-FLUORO-PHENYL)-ACETIC ACID ETHYL ESTER Property

Boiling point:: 140-143 °C(Press: 13 Torr)
Density: 1.4623 g/cm3
storage temp.: under inert gas (nitrogen or Argon) at 2-8°C
form: liquid
color: Clear, pale yellow

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Safety

HS Code: 2916399090

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Hazard and Precautionary Statements (GHS)

Symbol(GHS)

Signal word

Warning

Hazard statements

H315Causes skin irritation

H319Causes serious eye irritation

H335May cause respiratory irritation

Precautionary statements

P261Avoid breathing dust/fume/gas/mist/vapours/spray.

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

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N-Bromosuccinimide Price

SynQuest Laboratories

Product number: 2623-B-13
Product name: Ethyl 2-bromo-2-(4-fluorophenyl)acetate
Packaging: 250mg
Price: $48
Updated: 2021/12/16

ChemScene

Product number: CS-0061537
Product name: Bromo-(4-fluoro-phenyl)-aceticacidmethylester
Packaging: 250mg
Price: $54
Updated: 2021/12/16

ChemScene

Product number: CS-0061537
Product name: Bromo-(4-fluoro-phenyl)-aceticacidmethylester
Packaging: 1g
Price: $142
Updated: 2021/12/16

SynQuest Laboratories

Product number: 2623-B-13
Product name: Ethyl 2-bromo-2-(4-fluorophenyl)acetate
Packaging: 1g
Price: $144
Updated: 2021/12/16

ChemScene

Product number: CS-0061537
Product name: Bromo-(4-fluoro-phenyl)-aceticacidmethylester
Packaging: 5g
Price: $505
Updated: 2021/12/16

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BROMO-(4-FLUORO-PHENYL)-ACETIC ACID ETHYL ESTER Chemical Properties,Usage,Production

Synthesis

587-88-2

712-52-7

The general procedure for the synthesis of ethyl 2-bromo-2-(p-fluorophenyl)acetate from ethyl (4-fluorophenyl)acetate was as follows: to a solution of ethyl (4-fluorophenyl)acetate (61.0 g, 333 mmol) in carbon tetrachloride (300 mL) was added N-bromosuccinimide (61 g, 343 mmol) and hydrobromic acid (4 drops, 48% aqueous solution) in turn, and the reaction The mixture was heated to reflux for 3 hours. After the reaction was completed, the mixture was cooled to room temperature, filtered and the filtrate was concentrated under reduced pressure to obtain the crude product α-bromo(4-fluorophenyl)ethyl acetate (68 g, 78% yield). The above crude product (68.00 g, 260.0 mmol) was dissolved in N,N-dimethylformamide (300 mL), 4-nitroimidazole (35.0 g, 312 mmol) and potassium carbonate (108.0 g, 780.0 mmol) were added, and the reaction was stirred for 18 hours at room temperature. The reaction mixture was filtered and the filtrate was concentrated under reduced pressure. The concentrated crude product was dissolved in ethyl acetate and washed sequentially with saturated sodium bicarbonate solution and brine. The organic layer was dried with anhydrous sodium sulfate, filtered and concentrated under reduced pressure. Purification by fast column chromatography (silica gel 400 g, gradient elution with ethyl acetate/hexane) afforded the target product ethyl 2-bromo-2-(p-fluorophenyl)acetate (39.8 g, 52% yield) as a light orange oil. The product was confirmed to be structurally correct by 1H NMR (300 MHz, CDCl3). The results of elemental analysis (calculated value C13H12FN3O4: C 53.24%, H 4.12%, N 14.33%; measured value: C 53.51%, H 4.07%, N 14.43%) were consistent with the theoretical values. Mass spectrometry (FDMS) showed a molecular ion peak (M+) of 294.

References

[1] Patent: US2005/277677, 2005, A1. Location in patent: Page/Page column 6
[2] Organic Letters, 2018, vol. 20, # 7, p. 1832 - 1836
[3] Patent: WO2018/92921, 2018, A1. Location in patent: Paragraph 00244-00246

BROMO-(4-FLUORO-PHENYL)-ACETIC ACID ETHYL ESTER Preparation Products And Raw materials

Raw materials

Preparation Products

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712-52-7, BROMO-(4-FLUORO-PHENYL)-ACETIC ACID ETHYL ESTERRelated Search:

Leucine, N-(2,2-dimethyl-1-oxopropyl)- Ethyl pivaloylacetate Ethyl trimethylacetate Ethyl bromodifluoroacetate Ethyl α-bromophenylacetate 3-Fluorobenzyl bromide BROMO-(4-FLUORO-PHENYL)-ACETIC ACID ETHYL ESTER METHYL 4-FLUOROPHENYLACETATE 4-Fluorophenylacetic acid METHYL ALPHA-BROMOPHENYLACETATE 4-Fluorophenethyl alcohol Ethyl 2-bromopropionate 2-Bromo-2-phenylacetic acid 4-FLUOROPHENYLACETIC ACID ETHYL ESTER

BROMO-(4-FLUORO-PHENYL)-ACETIC ACID ETHYL ESTER

ETHYL BROMO-(4-FLUORO-PHENYL)-ACETATE

Benzeneacetic acid, .alpha.-broMo-4-fluoro-, ethyl ester

Benzeneacetic acid, α-bromo-4-fluoro-, ethyl ester

a-bromo-4-fluorophenylacetic acid ethyl ester

2-Propenoicacid,3-(4-fluorophenyl)-2-methyl-,(4E)-

712-52-7