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4385-78-8

4385-78-8 Structure

4385-78-8 Structure
IdentificationBack Directory
[Name]

3-PYRIDIN-4-YL-BENZOIC ACID
[CAS]

4385-78-8
[Synonyms]

AKOS BAR-0604
3-(Pyridin-4-yl)
3-PYRID-4-YLBENZOIC ACID
3-PYRIDIN-4-YL-BENZOIC ACID
3-(4-PYRIDINYL)BENZOIC ACID
4-(3-Carboxyphenyl)pyridine
3-(Pyridin-4-yl)benzoicacid97%
Benzoic acid, 3-(4-pyridinyl)-
3-(Pyridin-4-yl)benzoic acid 97%
3-(2-Chloropyridin-4-yl)benzoic acid
3-(2-Fluoropyridin-4-yl)benzoic acid
3-(2-Methylpyridin-4-yl)benzoic acid
3-(3-Fluoropyridin-4-yl)benzoic acid
3-(3-Methylpyridin-4-yl)benzoic acid
3-(2-Carboxypyridin-4-yl)benzoic acid
3-(3-Carboxypyridin-4-yl)benzoic acid
3-(2-Carbamoylpyridin-4-yl)benzoic acid
3-(3-(Methoxycarbonyl)pyridin-4-yl)benzoic acid
3-(2-(Methoxycarbonyl)pyridin-4-yl)benzoic acid
[EINECS(EC#)]

201-215-5
[Molecular Formula]

C12H9NO2
[MDL Number]

MFCD05864808
[MOL File]

4385-78-8.mol
[Molecular Weight]

199.21
Chemical PropertiesBack Directory
[Melting point ]

268 °C
[Boiling point ]

405.0±28.0 °C(Predicted)
[density ]

1.241±0.06 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,Room Temperature
[pka]

3.78±0.10(Predicted)
[Appearance]

White to off-white Solid
[CAS DataBase Reference]

4385-78-8
Safety DataBack Directory
[Hazard Codes ]

Xn
[Risk Statements ]

22
[Hazard Note ]

Harmful
[HS Code ]

2933399990
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Sodium hydroxide-->Ethyl acetate-->Methanol-->Tetrahydrofuran-->N,N-Dimethylformamide-->Thionyl chloride-->Magnesium sulfate-->p-Toluenesulfonic acid-->Triphenylphosphine-->Palladium chloride-->Cesium carbonate-->3-Bromobenzoic acid-->Pyridine-4-boronic acid
Hazard InformationBack Directory
[Definition]

ChEBI: 3-Pyrid-4-ylbenzoic acid is a phenylpyridine.
[Synthesis]

4-Bromopyridine

1120-87-2

3-Carboxyphenylboronic acid

25487-66-5

3-PYRIDIN-4-YL-BENZOIC ACID

4385-78-8

Example 165 Synthesis of A3-(pyridin-4-yl)benzoic acid: 3-Carboxyphenylboronic acid (1.5 g, 9 mmol) and 4-bromopyridine (1.5 g, 9.9 mmol) were dissolved in a mixed solvent of acetonitrile (40 mL) and water (40 mL), potassium carbonate (5.5 g, 40 mmol) and bis(triphenylphosphine)palladium(II) chloride (400 mg, 0.37 mmol). The reaction mixture was stirred under reflux conditions overnight. Upon completion of the reaction, the suspension was filtered while hot and the filtrate was concentrated to half the original volume. The concentrated aqueous phase was washed with dichloromethane. Subsequently, the aqueous phase was adjusted to pH=3 with 1 M hydrochloric acid, the solid was precipitated, filtered and the solid was washed with water. Finally, the solid residue was dried under vacuum to give 1.5 g of 3-(pyridin-4-yl)benzoic acid in 83% yield.LC-MS (ESI) m/z: 200(M+1)+.

[References]

[1] Patent: US2009/197863, 2009, A1. Location in patent: Page/Page column 76
Spectrum DetailBack Directory
[Spectrum Detail]

3-PYRIDIN-4-YL-BENZOIC ACID(4385-78-8)1HNMR
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