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5-Bromofuroic acid

Product Name5-Bromofuroic acid
CAS585-70-6
MFC5H3BrO3
MW190.98
EINECS209-559-7
MOL File585-70-6.mol

Chemical Properties

Melting point	188-190 °C(lit.)
Boiling point	281.6±25.0 °C(Predicted)
Density	1.7703 (rough estimate)
refractive index	1.4690 (estimate)
storage temp.	Keep in dark place,Sealed in dry,Room Temperature
pka	2.84±0.10(Predicted)
form	Crystalline Flakes or Powder
color	White to cream or beige
BRN	118354
InChI	1S/C5H3BrO3/c6-4-2-1-3(9-4)5(7)8/h1-2H,(H,7,8)
InChIKey	YVTQHZDUDUCGRD-UHFFFAOYSA-N
SMILES	OC(=O)c1ccc(Br)o1
CAS DataBase Reference	585-70-6(CAS DataBase Reference)
NIST Chemistry Reference	5-Bromofuroic acid(585-70-6)

Safety Information

Hazard Codes	Xi
Risk Statements	36
Safety Statements	24/25-39-26
WGK Germany	3
HazardClass	IRRITANT
HS Code	29321900
Storage Class	11 - Combustible Solids
Hazard Classifications	Eye Irrit. 2

MSDS

Provider	Language
5-Bromo-2-furancarboxylic acid	English
SigmaAldrich	English
ACROS	English
ALFA	English

Usage And Synthesis

Chemical Properties

white to cream or beige crystalline flakes

Uses

5-Bromofuroic acid serves as a precursor for synthesizing 4-(methoxycarbonyl)phenyl 5-bromofuran-2-carboxylate via Steglich esterification with methylparaben, using DCC and DMAP[6].

Synthesis

88-14-2

585-70-6

Furan-2-carboxylic acid (2.50 g, 22.3 mmol) was used as starting material and dissolved in a solvent mixture of glacial acetic acid (2.0 ml) and carbon tetrachloride (20.0 ml). Bromine (0.8 ml, 13.3 mmol) was added slowly in three portions at 20°C, 6 hours apart, and the reaction was carried out for 5 minutes after addition. The reaction temperature was then maintained at 60°C with continuous stirring for 24 hours. Upon completion of the reaction, the solvent was removed by concentration under reduced pressure. The resulting solid was washed with hot deionized water, filtered and dried to afford 5-bromo-2-furoic acid (3.46 g, 18.1 mmol) in 86% yield.

References

[1] Patent: CN106977476, 2017, A. Location in patent: Paragraph 0073-0093
[2] Journal of Materials Chemistry A, 2014, vol. 2, # 18, p. 6589 - 6597
[3] Journal of Pharmaceutical Sciences, 1981, vol. 70, # 10, p. 1095 - 1100
[4] Heterocycles, 1994, vol. 38, # 4, p. 759 - 768
[5] Justus Liebigs Annalen der Chemie, 1953, vol. 580, p. 169,187
[6] Fakhar U. Zaman, M., Mubarik, A., Kanwal, A., Rasool, N., Ahmad, M., Sohail, M., Malik, A., Al-Hussain, S. A., & Zaki, M. E. A. (2025). Facile Synthesis of 4-(Methoxycarbonyl)phenyl 5-Arylfuran-2-Carboxylates via Readily Available Pd Catalyst–Their Thermodynamic, Spectroscopic Features and Nonlinear Optical Behavior. Catalysts, 15(8), 713. https://doi.org/10.3390/catal15080713

5-Bromofuroic acid

Chemical Properties

Safety Information

MSDS

Usage And Synthesis

Preparation Products And Raw materials

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