2-METHOXY-3-PYRIDINECARBOXALDEHYDE
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2-METHOXY-3-PYRIDINECARBOXALDEHYDE
structure -
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CAS No:
71255-09-9
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Formula:
C7H7NO2
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Chemical Name:
2-METHOXY-3-PYRIDINECARBOXALDEHYDE
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Synonyms:
2-METHOXYNICOTINALDEHYDE;2-METHOXY-PYRIDINE-3-CARBALDEHYDE;2-METHOXY-3-PYRIDINECARBOXALDEHYDE;3-Pyridinecarboxaldehyde, 2-methoxy- (9CI);2-Methoxy-3-pyridinecarboxaldenhyde;2-Methoxy-3-pyridinecaarboxaldehyde;2-METHYOXYNICOTINALDEHYDE;2-Methoxypyridine-3-carboxaldehyde
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CAS No:
Characteristics
39.2
0.6
Colorless to yellow Liquid or Low Melting Solid
1.161 g/mL at 25 °C(lit.)
200-201 °C(lit.)
205 °F
n20/D 1.5500(lit.)
Safety Information
IRRITANT
NONH for all modes of transport
3
41-43-36/37/38
26-36/37/39-37
Xi
P280-P305 + P351 + P338
H317-H318
|Danger|H315 (11.36%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P332+P313, P333+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 44 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
2-METHOXY-3-PYRIDINECARBOXALDEHYDE Use and Manufacturing
Elemental sodium (0.35 g, 15.0 mmol) was added to dry MeOH (6 mL) at 0 °C and allowed to dissolve completely. A solution of 2-chloronicotinaldehyde (0.708, 5.0 mmol) in dry MeOH (2 mL) was added via syringe and the reaction was heated at reflux temperature for 5 hours. The reaction mixture was cooled to room temperature and evaporated under reduced pressure. The residue was taken up in water (10 mL), neutralized with dilute HCl and extracted with EtStage 2 (i) 2- amino diphenyl ether from (1.80g, 9.8mmol) and In a 500 mL round bottom flask, (2.35 g, 17.1 mmol) was added to a round- botom flask and dissolved in DCM (25 mL). 2-methyl-2-propanesulfmamide (3.1 g, 25.7 mmol) was added, followed by titanium tetraisopropoxide (10.1 mL, 34.3 mmol). The resulting mixture was stirred at room temperature for -18 hours, and poured into brine (about 250 mL) with vigorous stirring. The biphasic mixture was filtered through celite, and the organic layer was collected, dried and concentrated to afford the product as a yellow oil (yield: 3.1 g, 75%).
Computed Properties
Molecular Weight:137.14
XLogP3:0.6
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:137.047678466
Monoisotopic Mass:137.047678466
Topological Polar Surface Area:39.2
Heavy Atom Count:10
Complexity:116
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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2-METHOXY-3-PYRIDINECARBOXALDEHYDE
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