3-Pyridinecarboxylic acid, 6-methoxy-, methyl ester
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3-Pyridinecarboxylic acid, 6-methoxy-, methyl ester
structure -
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CAS No:
26218-80-4
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Formula:
C8H9NO3
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Chemical Name:
3-Pyridinecarboxylic acid, 6-methoxy-, methyl ester
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Synonyms:
3-Pyridinecarboxylic acid,6-methoxy-,methyl ester;Nicotinic acid,6-methoxy-,methyl ester;Methyl 6-Methoxynicotinate;6-Methoxynicotinic acid methyl ester;Methyl 6-methoxypyridine-3-carboxylate;Methyl 2-methoxypyridine-5-carboxylate
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CAS No:
3-Pyridinecarboxylic acid, 6-methoxy-, methyl ester Basic Attributes
167.16
167.16
607-886-3
DTXSID30342940
2933399090
Characteristics
48.4
1
1.2±0.1 g/cm3
48-49 °C
93 °C @ Press: 3 Torr
97.7±21.8 °C
1.504
0.0438mmHg at 25°C
Safety Information
20/21/22
36
Xi
Irritant
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 7 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
3-Pyridinecarboxylic acid, 6-methoxy-, methyl ester Use and Manufacturing
The residue was co-evaporated with toluene and chloroform and dried under vacuum to give a thick oil which was dissolved in EtOAc (4 mL) and cooled to 0 C. Aldehyde 61 (0.20 g, 0.33 mmol), AcOH (0.18 mL, 3.30 mmol), and NaBH3CN (0.20 g, 3.30 mmol) were added. The reaction mixture was warmed to room temperature and stirred overnight. The reaction was quenched with H2O, stirred for 30 min, filtered, and concentrated.Compound 62 is hydrogenated with 10% Pd-C in the presence of acetic acid to give compound 63.
Computed Properties
Molecular Weight:167.16
XLogP3:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:167.058243149
Monoisotopic Mass:167.058243149
Topological Polar Surface Area:48.4
Heavy Atom Count:12
Complexity:160
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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3-Pyridinecarboxylic acid, 6-methoxy-, methyl ester
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