4-FLUORO-3-METHOXYBENZOIC ACID Chemical Properties

Melting point:

206 °C

Boiling point:

304.8±22.0 °C(Predicted)

Density 

1.307±0.06 g/cm3(Predicted)

Flash point:

>110℃

storage temp. 

Sealed in dry,Room Temperature

form 

powder to crystal

pka

4.02±0.10(Predicted)

color 

White to Yellow to Orange

BRN 

4178071

InChIKey

LWGCZCMLPRMKIZ-UHFFFAOYSA-N

CAS DataBase Reference

82846-18-2(CAS DataBase Reference)

Safety Information

Hazard Codes 

Xi,Xn

Risk Statements 

36/37/38-36:37/38-22

Safety Statements 

26-36-37

Hazard Note 

Irritant

HS Code 

29189900

MSDS

• Language:English Provider:ALFA

4-FLUORO-3-METHOXYBENZOIC ACID Usage And Synthesis

Chemical Properties

White to light yellow crystal powder

Synthesis Reference(s)

Journal of Medicinal Chemistry, 33, p. 2408, 1990 DOI: 10.1021/jm00171a014

Synthesis

The general procedure for the synthesis of 3-methoxy-4-fluorobenzoic acid from methyl 4-fluoro-3-methoxybenzoate was as follows: methyl 4-fluoro-3-methoxybenzoate (11 g, 59.8 mmol) was dissolved in methanol (100 mL), and a solution of sodium hydroxide (9.5 g, 240 mmol) in water (20 mL) was added, and the reaction was stirred for 4 h at room temperature. Upon completion of the reaction, the solvent was removed by distillation under reduced pressure to give a residue. The residue was dissolved in water (100 mL) and the pH was adjusted with 1N HCl solution to 4. Subsequently, the precipitated solid was collected by filtration, washed with water (3 x 50 mL), and dried to give 3-methoxy-4-fluorobenzoic acid as a white solid (9 g, 97% yield). The product was characterized by 1H-NMR (300 MHz, DMSO-d6): δ 7.66-7.55 (m, 2H), 7.37-7.30 (m, 1H), 3.91 (s, 3H).

References

[1] Patent: WO2014/66795, 2014, A1. Location in patent: Paragraph 0175
[2] Patent: US2004/204427, 2004, A1. Location in patent: Page/Page column 42

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