5-FLUORO-2-METHOXYBENZOIC ACID Chemical Properties

Melting point:

87-91 °C (lit.)

Boiling point:

294.0±20.0 °C(Predicted)

Density 

1.307±0.06 g/cm3(Predicted)

storage temp. 

Sealed in dry,Room Temperature

pka

3.75±0.10(Predicted)

form 

fluffy powder

color 

White

Water Solubility 

Insoluble in water.

InChI

InChI=1S/C8H7FO3/c1-12-7-3-2-5(9)4-6(7)8(10)11/h2-4H,1H3,(H,10,11)

InChIKey

WPXFJBPJUGMYOD-UHFFFAOYSA-N

SMILES

C(O)(=O)C1=CC(F)=CC=C1OC

CAS DataBase Reference

394-04-7(CAS DataBase Reference)

Safety Information

Hazard Codes 

Xi

Risk Statements 

36/37/38

Safety Statements 

26-36/37/39

WGK Germany 

3

Hazard Note 

Irritant

HS Code 

2918999090

MSDS

• Language:English Provider:SigmaAldrich

5-FLUORO-2-METHOXYBENZOIC ACID Usage And Synthesis

Chemical Properties

off-white powder

Uses

5-Fluoro-3-hydroxy-2-methylbenzoic acid 1 was synthesized from 5-fluoro-2-methylbenzoic acid by nitration, reduction, diazotization and hydrolysis. Another methylcarbamoyl-substituted benzylamine 12 was synthesized from 5-fluoro-2-methylbenzoic acid via the sequential bromination,azido replacement and the reduction.

reaction suitability

reaction type: solution phase peptide synthesis

Synthesis

(2) Synthesis of 2-methoxy-5-fluorobenzoic acid: Methyl 5-fluoro-2-methoxybenzoate (0.61 g) was added to 10% potassium hydroxide solution in methanol (V/V=1:2) and the reaction was stirred at room temperature. The reaction progress was monitored by thin layer chromatography (TLC). After completion of the reaction, methanol was removed by distillation under reduced pressure. Subsequently, the pH of the reaction solution was adjusted to 2-3 with 2M hydrochloric acid solution and a white solid was precipitated. The solid was collected by filtration and washed with deionized water and dried under vacuum to give 2-methoxy-5-fluorobenzoic acid in 96% yield.

References

[1] Patent: CN103965066, 2016, B. Location in patent: Paragraph 0054; 0055; 0056
[2] Patent: WO2017/214367, 2017, A1. Location in patent: Page/Page column 95

5-FLUORO-2-METHOXYBENZOIC ACID(394-04-7)Related Product Information

• 2,3-DIFLUORO-4-METHOXYBENZOIC ACID
• 2-FLUORO-3-METHOXYBENZOIC ACID,2-Fluoro-3-methoxybenzoic acid 98%
• 2,4,5-Trifluoro-3-methoxy-benzoic acid methyl ester
• 3,5-DIFLUORO-2-METHOXYBENZOIC ACID
• 4,5-DIFLUORO-2-METHOXYBENZOIC ACID
• 5-FLUORO-2-METHOXYBENZOIC ACID
• 4-FLUORO-3-METHOXYBENZOIC ACID
• 3-FLUORO-2-METHOXYBENZOIC ACID
• 2-Fluoro-4-methoxybenzoic acid
• 3-Methoxy-2,4,5-trifluorobenzoic acid
• 2,4-Difluoro-3-methoxybenzoic acid
• 3,5-DIFLUORO-4-METHOXYBENZOIC ACID
• 2-FLUORO-6-METHOXYBENZOIC ACID
• 3-Fluoro-4-methoxybenzoic acid 98%,3-FLUORO-4-METHOXYBENZOIC ACID
• 3,4-Difluoro-2-methoxybenzoic acid
• 2,3,4-Trifluoro-5-methoxybenzoic acid
• 3-CHLORO-5-FLUORO-4-METHOXYBENZOIC ACID
• 6-CHLORO-2-FLUORO-3-METHOXYBENZOIC ACID