ChemicalBook--->CAS DataBase List--->4385-77-7

4385-77-7

4385-77-7 Structure

4385-77-7 Structure
IdentificationMore
[Name]

3-(3-PYRIDINYL)BENZOIC ACID
[CAS]

4385-77-7
[Synonyms]

3-(3-PYRIDINYL)BENZOIC ACID
3-(3'-PYRIDYL)BENZOIC ACID
3-PYRID-3-YLBENZOIC ACID
3-PYRIDIN-3-YL-BENZOIC ACID
AKOS BAR-0408
3-(Pyridin-3-yl)benzoic acid 95%
3-(2-Chloropyridin-3-yl)benzoic acid
3-(2-Fluoropyridin-3-yl)benzoic acid
3-(2-Hydroxypyridin-3-yl)benzoic acid
3-(5-Chloropyridin-3-yl)benzoic acid
3-(5-Fluoropyridin-3-yl)benzoic acid
3-(6-Chloropyridin-3-yl)benzoic acid
3-(6-Fluoropyridin-3-yl)benzoic acid
3-(6-Hydroxypyridin-3-yl)benzoic acid
3-Pyridin-3-yl-benzoic acid ,97%
[Molecular Formula]

C12H9NO2
[MDL Number]

MFCD03426512
[Molecular Weight]

199.21
[MOL File]

4385-77-7.mol
Chemical PropertiesBack Directory
[Melting point ]

202-205.5
[Boiling point ]

420.1±28.0 °C(Predicted)
[density ]

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

Sealed in dry,Room Temperature
[form ]

solid
[pka]

3.78±0.10(Predicted)
[color ]

white
[Detection Methods]

HPLC,NMR
[CAS DataBase Reference]

4385-77-7(CAS DataBase Reference)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P271-P280
[Hazard Codes ]

Xi
[Risk Statements ]

22-36/37/38
[Safety Statements ]

22-26-36/37/39
[Hazard Note ]

Harmful
[HazardClass ]

IRRITANT
[HS Code ]

29333990
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Hydrochloric acid-->Ethyl acetate-->Dichloromethane-->Petroleum ether-->Sodium carbonate-->Acetonitrile-->Tetrakis(triphenylphosphine)palladium-->3-Pyridyl bromide-->3-Carboxyphenylboronic acid-->Potassium carbonate
Hazard InformationBack Directory
[Chemical Properties]

White or off-white solid
[Synthesis]

3-Pyridyl bromide

626-55-1

3-Carboxyphenylboronic acid

25487-66-5

3-(3-PYRIDINYL)BENZOIC ACID

4385-77-7

Example 163 A Synthesis of 3-(pyridin-3-yl)benzoic acid: 3-Carboxyphenylboronic acid (1.5 g, 9 mmol) and 3-bromopyridine (1.5 g, 9.9 mmol) were dissolved in a solvent mixture 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) were subsequently added. 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 precipitated solid was filtered and washed with water. Finally, the solid residue was dried under vacuum to give 1.5 g of 3-(pyridin-3-yl)benzoic acid in 83% yield.LC-MS (ESI) m/z: 200 (M + 1)+.

[References]

[1] Synlett, 2000, # 6, p. 829 - 831
[2] Patent: US2009/197863, 2009, A1. Location in patent: Page/Page column 76
[3] Journal of the American Chemical Society, 2013, vol. 135, # 5, p. 1853 - 1863
[4] Patent: JP5743418, 2015, B2. Location in patent: Paragraph 0142; 0143; 0144
Spectrum DetailBack Directory
[Spectrum Detail]

3-(3-PYRIDINYL)BENZOIC ACID(4385-77-7)1HNMR
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

3-pyrid-3-ylbenzoic acid(4385-77-7)
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