| Identification | Back Directory | [Name]
4,6-Dihydroxy-5-nitropyridine-3-carboxylic acid ethyl ester | [CAS]
6317-97-1 | [Synonyms]
Nsc25750
Ethyl 4,6-dihydroxy-5-nitronicotinate
Ethyl4,6-dihydroxy-5-nitronicotinate,97%
4,6-Dihydroxy-5-nitronicotinic acid ethyl ester
ethyl 4,6-dihydroxy-5-nitropyridine-3-carboxylate
ethyl 4-hydroxy-5-nitro-6-oxo-1H-pyridine-3-carboxylate
4,6-Dihydroxy-5-nitropyridine-3-carboxylic acid ethyl ester
ethyl 4,6-dihydroxy-5-nitropyridine-3-carboxylate - [AC78549]
ethyl 6-hydroxy-5-nitro-4-oxo-1,4-dihydropyridine-3-carboxylate
Ethyl 4-hydroxy-5-nitro-6-oxo-1,6-dihydropyridine-3-carboxylate
3-Pyridinecarboxylic acid, 1,6-dihydro-4-hydroxy-5-nitro-6-oxo-, ethyl ester
4,6-Dihydroxy-5-nitropyridine-3-carboxylic acid ethyl ester ISO 9001：2015 REACH | [EINECS(EC#)]
604-604-1 | [Molecular Formula]
C8H8N2O6 | [MDL Number]
MFCD01765414 | [MOL File]
6317-97-1.mol | [Molecular Weight]
228.159 |
| Chemical Properties | Back Directory | [Melting point ]
243-246° | [Boiling point ]
325.7±42.0 °C(Predicted) | [density ]
1.55±0.1 g/cm3(Predicted) | [storage temp. ]
2-8°C | [pka]
4.50±1.00(Predicted) |
| Hazard Information | Back Directory | [Synthesis]
Step 2: Preparation of ethyl 4,6-dichloro-5-nitronicotinate (15)
To a solution of concentrated sulfuric acid (330 ml) of ethyl 4,6-dihydroxynicotinate (14) (40.0 g, 0.22 mol) cooled to 0°C, fuming nitric acid (12.7 ml) was added dropwise slowly. After the dropwise addition was completed, the reaction mixture was stirred at 0°C for 1 hour, then brought to room temperature and continued stirring for 1 hour. After completion of the reaction, the mixture was slowly poured into ice water and stirred vigorously for 10 minutes. The precipitate precipitated was collected by filtration, washed well with water and dried under vacuum to give a light yellow solid product 15 (38.7 g, 77.6% yield). The melting point of the product was 238-240 °C.
1H NMR (300 MHz, DMSO-d6) δ (ppm): 8.22 (s, 1H), 4.31 (q, J = 7.0 Hz, 2H), 1.29 (t, J = 7.0 Hz, 3H).
MS (ESI (+) 70V) m/z: 227 [M-H]-. | [References]
[1] Bioorganic and Medicinal Chemistry, 2015, vol. 23, # 20, p. 6551 - 6559
[2] Patent: WO2008/17696, 2008, A1. Location in patent: Page/Page column 51
[3] Patent: WO2009/106419, 2009, A1. Location in patent: Page/Page column 79
[4] Patent: WO2008/17696, 2008, A1. Location in patent: Page/Page column 51
[5] Recueil des Travaux Chimiques des Pays-Bas, 1948, vol. 67, p. 29,37 |
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