5-Nitropyridine-2-carboxylic acid
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5-Nitropyridine-2-carboxylic acid
structure -
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CAS No:
30651-24-2
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Formula:
C6H4N2O4
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Chemical Name:
5-Nitropyridine-2-carboxylic acid
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Synonyms:
2-PYRIDINECARBOXYLIC ACID, 5-NITRO-;5-NITRO-2-PICOLINIC ACID;5-NITRO-2-PYRIDINECARBOXYLIC ACID;5-NITROPICOLINIC ACID;5-NITROPYRIDINE-2-CARBOXYLIC ACID;3-NITRO-6-PYRIDINE CARBOXYLIC ACID;5-Nitropyridine-2-carboxylicacid98%;5-NITROPYRIDINE-2-CARBOXYLIC ACID 98%
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CAS No:
Characteristics
96
0.5
Solid
1.6±0.1 g/cm3
218-220°C
389.8°C at 760 mmHg
189.6±23.7 °C
1.625
soluble in dimethyl sulfoxide.
-20°C Freezer
Safety Information
NONH for all modes of transport
22-20/21/22
24/25-36/37
Xn
P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P501
H302
|Warning|H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 4 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
5-Nitropyridine-2-carboxylic acid Use and Manufacturing
The reported procedure from Oehlke, J.; Schroetter, E.; Dove, S.; Schick, H.; Niedrich, H. Phannazie 1983, 38, 591-596, was slightly modified. When N, [N-DIMETHYLFORMAMIDE] (DMF) was used as the solvent instead of dimethylsulfoxide (DMSO) in the substitution of 2-bromo- 5-nitropyridine by copper [(I)] cyanide, subsequent hydrolysis provided the described acid in an improved 70percent yield, typically used without any further purification.Crude diethyl (5-nitropyridin-2-yl)malonate was added to boiling 65percent nitric acid (1.5 L) under stirring.Reference Example 8 Diethyl 2-(5-nitropyridin-2-yl)malonate (67.47 g) was stirred in water and aqueous sodium hydroxide solution (2N) was added followed by potassium permanganate (42 g) causing the reaction temperature to rise to 60° C. Further portions of aqueous sodium hydroxide solution and potassium permanganate were added maintaining the reaction temperature at 60°-70° C. After the final addition, the suspension was stirred at 60° C. for 1.5 hours. The hot suspension was then filtered through `Hyflo Supercel`. The filter cake was washed with aqueous sodium hydroxide solution (2N). On cooling to room temperature, the filtrate was carefully acidified to pH 1-2 with concentrated hydrochloric acid. The resulting precipitate was collected by filtration and dried to yield 5-Nitropyridinecarboxylic acid (336 mg, 2 mmol) was dissolved in thionyl chloride (10 mL).The reaction solution was stirred at 90 ° C for 2 hours, then concentrated and dissolved in dichloromethane (30 ml).Add borneol (323 mg, 2.1 mmol) and triethylamine (404 mg, 4 mmol)The reaction solution was reacted at room temperature for 2 hours. Petroleum ether: ethyl acetate = 2 / 1 separation and purification, Compound 27A was obtained as a white solid (480 g, 79percent yield).
A useful synthetic intermediate
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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5-Nitropyridine-2-carboxylic acid
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