5-BROMO-2-FLUOROCINNAMIC ACID Chemical Properties

Melting point:

195-199 °C

Boiling point:

336.0±32.0 °C(Predicted)

Density 

1.6228 (rough estimate)

refractive index 

1.4240 (estimate)

storage temp. 

Sealed in dry,Room Temperature

pka

4.14±0.10(Predicted)

Appearance

White to off-white Solid

CAS DataBase Reference

202865-71-2(CAS DataBase Reference)

Safety Information

Hazard Codes 

Xi

Risk Statements 

36/37/38

Safety Statements 

37/39-26

WGK Germany 

3

HazardClass 

IRRITANT

HS Code 

29163900

MSDS

• Language:English Provider:ACROS
• Language:English Provider:ALFA

5-BROMO-2-FLUOROCINNAMIC ACID Usage And Synthesis

Chemical Properties

white to light yellow crystal powder

Synthesis

A Knoevenagel condensation reaction catalyzed by piperidine (0.5 mL, 4.9 mmol) in pyridine (11.4 mL) was carried out with 5-bromo-2-fluorobenzaldehyde (5.0 g, 24.6 mmol) and malonic acid (5.6 g, 53.7 mmol). The reaction mixture was stirred at 100 °C for 3 h. After completion of the reaction, the solvent was removed by concentration under reduced pressure. Distilled water was added to the concentrated mixture and the precipitate was collected by filtration. The resulting crude product was purified by recrystallization with ethanol to give the final 5-bromo-2-fluorocinnamic acid (1.3 g, white solid). The structure of the product was confirmed by 1H NMR (400 MHz, CD3OD): δ 7.89 (d, 1H), 7.74-7.70 (m, 2H), 7.15 (t, 1H), 6.62 (d, 1H).

References

[1] Patent: US2015/291563, 2015, A1. Location in patent: Paragraph 0163; 0164

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