2-Pyridinecarboxylicacid,5-amino-,methylester(9CI)
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2-Pyridinecarboxylicacid,5-amino-,methylester(9CI)
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CAS No:
67515-76-8
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Formula:
C7H8N2O2
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Chemical Name:
2-Pyridinecarboxylicacid,5-amino-,methylester(9CI)
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Synonyms:
2-Pyridinecarboxylicacid,5-amino-,methylester(9CI);Methyl 5-amino-pyridine-2-carboxylate;Methyl 5-amino-pyridine-2...;METHYL 5-AMINOPICOLINATE;2-Pyridinecarboxylic acid, 5-aMino-, Methyl ester;Methyl 5-amino-2-pyridinecarboxylate;5-Amino-2-(carbomethoxy)pyridine
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CAS No:
2-Pyridinecarboxylicacid,5-amino-,methylester(9CI) Basic Attributes
152.15
152.058578
DTXSID00499056
2933399090
Safety Information
|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|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
2-Pyridinecarboxylicacid,5-amino-,methylester(9CI) Use and Manufacturing
Step 1. Methyl 5-aminopicolinate. To a stirred solution of 5-aminopicolinic acid (170 g, 1.23 mol) in MeOH (1700 ml) was added SOClGeneral procedure: A mixture of 4-aminobenzoic acid (32-34, 5.0 mmol), thionyl chloride(1.487 g, 5.0 mmol), and MeOH (20.0 mL) was flushed with argon, and stirred at80°C for 12 hours. Remove reaction solvent by rota vapor. The reaction mixture wasneutralized with NaHCO3(sat) (20.0 mL) and extracted with ethyl acetate (100 mL ×3). The combined organic extracts were washed with brine, dried by Na2SO4, filtered, and evaporated, to get cmopound 35-37 (63-89percent) as a white solid.103451 5-Aminopyridine-2-carboxylic acid (2.00 g, 14.5 mmol) was dissolved in anhydrous methanol (20 mL) and cooled to 0 °C. Thionyl chloride (3.15 mL, 43, 4 mmol) was added drop-wise over 5 minutes and the mixture allowed to warm to room temperature then heated to reflux for 24 hours. The reaction mixture was concentrated, partitioned between ethyl acetate (30 mL) and saturated aqueous sodium bicarbonate solution (30 mL). The mixture was sonicated, the layers separated and the aqueous layer extracted with ethyl acetate (2 x 15 mL), The combined organic extracts were washed with brine (20 mL), dried over magnesium sulfate, filtered and concentrated to give the title compound 850 mg (39percent yield) as an off- white powder. oH NMR (500 MHz, DMSO) 7.97 (d, J = 2.7 Hz, 1H), 7.74 (d, J = 8.6 Hz, 1H), 6.91 (dd, J = 8.6, 2.7 Hz, 1H), 6.18 (s, 2H), 3.76 (s, 3H).
Computed Properties
Molecular Weight:152.15
XLogP3:-0.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:152.058577502
Monoisotopic Mass:152.058577502
Topological Polar Surface Area:65.2
Heavy Atom Count:11
Complexity:149
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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2-Pyridinecarboxylicacid,5-amino-,methylester(9CI)
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