| Identification | More | [Name]
4-(2-Pyridinyl)benzaldehyde | [CAS]
127406-56-8 | [Synonyms]
2-(4-FORMYLPHENYL)PYRIDINE
4-(2-PYRIDINYL)BENZALDEHYDE
4-(2-PYRIDYL)BENZALDEHYDE
4-(PYRIDIN-2-YL)BENZALDEHYDE
AKOS BAR-0490
Benzaldehyde, 4-(2-pyridinyl)-
4-Pyridylenzaldehyde
4-(2-Pyridiyl)benzaldehyde
4-(2-pyridinyl)phenylaldyhyde
(4-(pyridine-2-yl)benzaldehyde
4-PYRIDIN-2-YL-BENZALDEHYDE, 95+% | [EINECS(EC#)]
627-948-3 | [Molecular Formula]
C12H9NO | [MDL Number]
MFCD01863537 | [Molecular Weight]
183.21 | [MOL File]
127406-56-8.mol |
| Chemical Properties | Back Directory | [Appearance]
White Waxy Solid | [Melting point ]
50-52 °C(lit.) | [Boiling point ]
340.4±25.0 °C(Predicted) | [density ]
1.147±0.06 g/cm3(Predicted) | [Fp ]
>230 °F
| [storage temp. ]
Keep in dark place,Sealed in dry,Room Temperature | [solubility ]
Soluble in Chloroform | [form ]
Solid | [pka]
3.97±0.25(Predicted) | [color ]
White to Off-White Waxy | [InChI]
1S/C12H9NO/c14-9-10-4-6-11(7-5-10)12-3-1-2-8-13-12/h1-9H | [InChIKey]
NMLYGLCBSFKJFI-UHFFFAOYSA-N | [SMILES]
[H]C(=O)c1ccc(cc1)-c2ccccn2 | [CAS DataBase Reference]
127406-56-8(CAS DataBase Reference) |
| Safety Data | Back Directory | [Symbol(GHS) ]
GHS07 | [Signal word ]
Warning | [Hazard statements ]
H315-H319-H335 | [Precautionary statements ]
P302+P352-P305+P351+P338 | [Hazard Codes ]
Xi,Xn | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin .
R22:Harmful if swallowed. | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37:Wear suitable protective clothing and gloves .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S22:Do not breathe dust . | [WGK Germany ]
3
| [Hazard Note ]
Harmful | [HS Code ]
29333990 | [Storage Class]
11 - Combustible Solids | [Hazard Classifications]
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 |
| Hazard Information | Back Directory | [Chemical Properties]
White Waxy Solid | [Uses]
Reactive metabolite of atazanavir. | [Uses]
Reactive metabolite of atazanavir. Atazanavir Impurity; Pyridinyl Benzaldehyde impurity | [General Description]
4-(2-Pyridyl)benzaldehyde is a p-substituted benzaldehyde. | [Synthesis]
General procedure for the synthesis of 4-(2-pyridyl)-benzaldehyde from 2-bromopyridine and 4-formylphenylboronic acid: 1.1 equiv. of the brominated derivatives (13- of 2-bromopyridine and 14- of 1-bromo-4-nitrobenzene) of 4-formylphenylboronic acid, Pd(OAc)2 (2 mol%), and PPh3 (4 mol%) were added to a Schlenk flask. Methanol/THF (1:1, 2 mL/mmol) and 2 eq. of KOH were added under an inert atmosphere. the reaction system was stirred at 60 °C for 24 h. The reaction system was then purified by column chromatography. The target compounds were purified by column chromatography (eluent: cyclohexane/EtOAc, 9:1) to afford the products 13a and 14a in 80% and 75% yields, respectively. | [References]
[1] European Journal of Organic Chemistry, 2008, # 12, p. 2049 - 2055
[2] Angewandte Chemie - International Edition, 2015, vol. 54, # 47, p. 14103 - 14107
[3] Angew. Chem., 2015, vol. 127, # 47, p. 14309 - 14313,5
[4] Organic and Biomolecular Chemistry, 2013, vol. 11, # 39, p. 6806 - 6813
[5] European Journal of Organic Chemistry, 2014, vol. 2014, # 27, p. 5901 - 5905 |
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