| Identification | More | [Name]
4-Pyrid-4-ylbenzoic acid | [CAS]
4385-76-6 | [Synonyms]
4-(3-PYRIDINYL)BENZOIC ACID
4-(3'-PYRIDYL)BENZOIC ACID
4-(3-PYRIDYL)BENZOIC ACID
4-(4-CARBOXYPHENYL)PYRIDINE
4-(4-PYRIDINYL)BENZOIC ACID
4-(4-PYRIDYL)BENZOIC ACID
4-PYRID-3-YLBENZOIC ACID
4-PYRID-4-YLBENZOIC ACID
4-PYRIDIN-3-YL-BENZOIC ACID
4-PYRIDIN-4-YL-BENZOIC ACID
4'-PYRIDYL-4-BENZOIC ACID
AKOS BAR-0406
AKOS BAR-0603
4-(Pyridin-4-yl)benzoic acid 95%
4-(2-Chloropyridin-4-yl)benzoic acid
4-(2-Fluoropyridin-4-yl)benzoic acid
4-(3-Fluoropyridin-4-yl)benzoic acid | [Molecular Formula]
C12H9NO2 | [MDL Number]
MFCD03426513 | [Molecular Weight]
199.21 | [MOL File]
4385-76-6.mol |
| Chemical Properties | Back Directory | [Melting point ]
>300°C | [Boiling point ]
384.3±25.0 °C(Predicted) | [density ]
1.241±0.06 g/cm3(Predicted) | [storage temp. ]
Inert atmosphere,Room Temperature | [form ]
solid | [pka]
3?+-.0.10(Predicted) | [Appearance]
White to off-white Solid | [Water Solubility ]
Slightly soluble in water. | [InChI]
InChI=1S/C12H9NO2/c14-12(15)11-3-1-9(2-4-11)10-5-7-13-8-6-10/h1-8H,(H,14,15) | [InChIKey]
DZLGZIGLHCRIMF-UHFFFAOYSA-N | [SMILES]
C(O)(=O)C1=CC=C(C2C=CN=CC=2)C=C1 | [CAS DataBase Reference]
4385-76-6(CAS DataBase Reference) |
| Safety Data | Back Directory | [Hazard Codes ]
Xi | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S22:Do not breathe dust . | [WGK Germany ]
WGK 3 | [Hazard Note ]
Irritant | [HazardClass ]
IRRITANT | [HS Code ]
29333990 | [Storage Class]
11 - Combustible Solids | [Hazard Classifications]
Acute Tox. 4 Oral
Eye Irrit. 2 |
| Hazard Information | Back Directory | [Synthesis]
Example 159 A Synthesis of 4-(pyridin-4-yl)benzoic acid: To a mixed solvent of acetonitrile (40 mL) and water (40 mL) was added 4-carboxyphenylboronic acid (1.66 g, 10 mmol), 4-bromopyridine (1.72 g, 11 mmol), potassium carbonate (5.5 g, 40 mmol), and bis(triphenylphosphine)palladium(II) chloride (400 mg, 0.37 mmol). The reaction mixture was degassed and displaced three times with nitrogen. Subsequently, the mixture was stirred at 100 °C for 24 hours. Upon completion of the reaction, the reaction suspension was filtered while hot and the filtrate was concentrated to half of the original volume. The concentrated aqueous phase was washed with dichloromethane, and then the pH of the aqueous phase was adjusted with 1 M hydrochloric acid to 3. The precipitated solid was collected by filtration, washed with water, and finally dried under vacuum to give 1.8 g of the white solid product, 4-(pyridin-4-yl)benzoic acid, in 90% yield.LC-MS (ESI) m/z: 200(M+1)+. | [References]
[1] Archiv der Pharmazie, 2008, vol. 341, # 8, p. 478 - 484
[2] Patent: US2009/197863, 2009, A1. Location in patent: Page/Page column 74 |
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