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199678-12-1

199678-12-1 Structure

199678-12-1 Structure
IdentificationBack Directory
[Name]

4-(Pyrimidin-2-yl)benzoic acid
[CAS]

199678-12-1
[Synonyms]

AKOS BAR-2339
4-(2-pyrimidinyl)benzoate
4-(PYRIMIDIN-2-YL)BENZOIC ACID
4-Pyrimidin-2-yl-benzoicacid95%
Benzoic acid, 4-(2-pyrimidinyl)-
Benzoic acid, 4-(2-pyrimidinyl)- (9CI)
4-(Pyrimidin-2-yl)benzoic acid MFCD01318668
[Molecular Formula]

C11H8N2O2
[MDL Number]

MFCD01318668
[MOL File]

199678-12-1.mol
[Molecular Weight]

200.19
Chemical PropertiesBack Directory
[Melting point ]

238 °C
[Boiling point ]

301.5±34.0 °C(Predicted)
[density ]

1.302±0.06 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,Room Temperature
[pka]

3.67±0.10(Predicted)
[Appearance]

Off-white to light brown Solid
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H332-H335
[Precautionary statements ]

P261-P280-P305+P351+P338
[Hazard Codes ]

Xn
[Risk Statements ]

22
[Hazard Note ]

Harmful
[HS Code ]

2933599590
Hazard InformationBack Directory
[Uses]

4-Pyrimidin-2-yl-benzoic acid (cas# 199678-12-1) is a useful reactant for the synthesis of alkylimino-quinolinyl isoindolones.
[Synthesis]

Benzoic acid, 4-(2-pyrimidinyl)-, methyl ester

466634-79-7

4-(Pyrimidin-2-yl)benzoic acid

199678-12-1

In a 250 mL round bottom flask, the compound obtained in the previous step (4.4 g, 20.54 mmol, 1.00 eq.), sodium hydroxide (2.4 g, 60.00 mmol, 2.92 eq.), and methanol (50 mL) were mixed. The reaction mixture was stirred at room temperature for 2 hours. Upon completion of the reaction, the pH of the reaction solution was adjusted to 7 with 1 M hydrochloric acid. the precipitated solid was collected by filtration to give 3.15 g of light yellow solid product in 77% yield.

[References]

[1] Patent: US2016/237043, 2016, A1. Location in patent: Paragraph 0553; 0555
Spectrum DetailBack Directory
[Spectrum Detail]

4-(Pyrimidin-2-yl)benzoic acid(199678-12-1)1HNMR
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