6-Nitro-3-pyridinecarboxylic acid
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6-Nitro-3-pyridinecarboxylic acid
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CAS No:
33225-73-9
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Formula:
C6H4N2O4
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Chemical Name:
6-Nitro-3-pyridinecarboxylic acid
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Synonyms:
3-Pyridinecarboxylic acid,6-nitro-;Nicotinic acid,6-nitro-;6-Nitro-3-pyridinecarboxylic acid;6-Nitronicotinic acid;2-Nitro-5-carboxypyridine;NSC 170849
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CAS No:
Safety Information
P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, P501
H302
|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 2 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
6-Nitro-3-pyridinecarboxylic acid Use and Manufacturing
500 ml of reactor was added 6-nitro nicotinic acid (10 g, 59.5 mmol)N-ethylpiperazine (8.15 g, 71.4 mmol)N, N-diisopropylethylamine (15.37 g, 119.0 mmol) and DMF (100 mL).The temperature of the reaction system was lowered to 0 C with stirring.PyBOP (34.05 g, 65.5 mmol) was slowly added to the reaction solution, The reaction solution was slowly dissolved.PyBOP was added and the reaction was continued for 30 minutes. The temperature of the reaction solution was raised to 25 C.After 2 hours of reaction, the reaction was stopped, 500 ml of water was slowly added to the reaction system, the solid was precipitated, extracted three times with ethyl acetate (200 ml each)The resulting organic phase was washed with saturated brine, dried over anhydrous sodium sulfate, filtered, concentrated in vacuo and purified by column chromatography (200 to 300 mesh silica gel, dichloromethane: methanol = 200: 1, 150: 1, 100: 1Gradient elution, Collecting a single product spotted eluent, concentrated), To give 13.4 g of the title compound in a yield of 85.4%.
Computed Properties
Molecular Weight:168.11
XLogP3:0.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:1
Exact Mass:168.01710661
Monoisotopic Mass:168.01710661
Topological Polar Surface Area:96
Heavy Atom Count:12
Complexity:200
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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6-Nitro-3-pyridinecarboxylic acid
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