Category: 94805-51-3

Each compound has different characteristics, and only by selecting the characteristics of the compound suitable for a specific situation can the compound be applied on a large scale. 94805-51-3, name is 2-Oxo-1,2-dihydropyridine-4-carbonitrile. This compound has unique chemical properties. The synthetic route is as follows. HPLC of Formula: C6H4N2O

2-Hydroxy-4-cyano-pyridine (240 mg, 2 mmol, 1 equiv.) was dissolved in DMF (6 ml), K2CO3 (415 mg, 3 mmol, 1.5 equiv.) and NaI (60 mg, 0.4 mmol, 0.2 equiv.) were added and the mixture was stirred at r.t. for 10 min. 5-Chloro-2-(chloromethyI)-1,3- benzothiazole (436 mg, 2 mmol, 1 equiv.) was added and the reaction mixture was stirred at 600C for 3 h and at r.t. overnight. By addition of H2O, brown solid precipitated, which was filtered, rinsed with H2O, dried and re-crystallised from CH3CN. Yield 280 mg (46%), mp 224-227C, HPLC-MS (method 1): m/z 302 [M+H]+, Rt = 3.80 min. By 13C-NMR analysis it was identified to be the N-alkylated derivative (Scheme 24). The DMF-H2O mother liquors were evaporated to dryness under reduced pressure and the residue was purified by column chromatography on silica, eluted with EtOAc/hexane (10%-100% gradient) to give 45 mg (7.5% yield) of a brown solid, HPLC-MS (method 1): m/z 302 [M+H]+, Rt = 4.86 min. By 13C-NMR analysis, it was identified to be the desired O-alkylated derivative (Scheme 24).

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Reference:
Patent; PROLYSIS LTD; WO2007/107758; (2007); A1;,
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

As we all know, there are many different methods for the synthesis of a compound, and people can choose the synthesis method that suits their own laboratory according to the actual situation. 94805-51-3, name is 2-Oxo-1,2-dihydropyridine-4-carbonitrile, molecular formula is C6H4N2O, The compound is widely used in many fields, so it is necessary to find a new synthetic route. The downstream synthesis method of this compound is introduced below. Computed Properties of C6H4N2O

Int-3 1-(6-Methoxy-3′-nitro-biphenyl-3-ylmethyl)-2-oxo-1,2-dihydro-pyridine-4-carbonitrile Into a 100 mL RBF with stir bar was added Int-2 (2.76 g, 8.55 mmol), 2-Hydroxy-isonicotinonitrile (934 mg, 7.78 mmol), K2CO3 (2.36 g, 17.11 mmol), and DME (30 mL). The suspension was stirred for 18 hours at 80 C. and then RT for 2 days. The reaction was filtered, the filtrate was concentrated and the resulting solid was triturated with ether to give 2.12 g (75%) of Int-3 as a yellow solid. 1H NMR (400 MHz, DMSO-d6) delta=8.29 (s, 1H), 8.20 (dd, J=1.3, 8.3 Hz, 1H), 8.12 (d, J=7.1 Hz, 1H), 7.93 (d, J=7.8 Hz, 1H), 7.73 (t, J=8.0 Hz, 1H), 7.49 (d, J=2.0 Hz, 1H), 7.43 (dd, J=1.9, 8.5 Hz, 1H), 7.16 (d, J=8.6 Hz, 1H), 7.04 (d, J=1.3 Hz, 1H), 6.56 (dd, J=1.7, 7.0 Hz, 1H), 5.12 (s, 2H), 3.79 (s, 3H). LC/MS=96.1%, 361.0 (APCI-).

With the rapid development of chemical substances, we look forward to future research findings about 94805-51-3.

Reference:
Patent; DECODE GENETICS EHF; US2009/136473; (2009); A1;,
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem