3-PYRIMIDIN-5-YL-BENZOIC ACID Chemical Properties

storage temp. 

Sealed in dry,Room Temperature

form 

powder

color 

Off-white

Safety Information

Hazard Codes 

Xn

Risk Statements 

22-36

Safety Statements 

26

HS Code 

2933599590

3-PYRIMIDIN-5-YL-BENZOIC ACID Usage And Synthesis

Synthesis

General method: 5-Bromopyrimidine (1.0 eq.) was dissolved in a solvent mixture of water and dioxane (1:1). Subsequently 3-carboxyphenylboronic acid pinacol ester (1.5 eq.) and potassium phosphate (5.0 eq.) were added. The reaction solution was degassed by vacuum/argon cycle (10 times) and further degassed (5 times) before addition of PdCl2(PPh3)2 (10 mol%). The resulting mixture was stirred and reacted at 95 °C and under argon protection for 16-20 hours. Upon completion of the reaction, the mixture was filtered through diatomaceous earth and diluted with about 30 mL of water and subsequently washed with chloroform (3 x 30 mL). Unless otherwise indicated, the aqueous phase was concentrated under reduced pressure and purified by C18 pre-column and further eluted on a 10g or 60g C18 column using gradient elution with aqueous acetonitrile (10-100%) to obtain the target product 3-pyrimidine-5-benzene carboxylic acid.

References

[1] European Journal of Medicinal Chemistry, 2018, vol. 145, p. 634 - 648
[2] Patent: WO2016/34673, 2016, A1. Location in patent: Page/Page column 80

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