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349461

Sigma-Aldrich

4-Methoxypyridine N-oxide hydrate

97%

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About This Item

Empirical Formula (Hill Notation):
C6H7NO2 · xH2O
CAS Number:
Molecular Weight:
125.13 (anhydrous basis)
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22

Assay

97%

mp

82-85 °C (lit.)

SMILES string

[H]O[H].COc1cc[n+]([O-])cc1

InChI

1S/C6H7NO2.H2O/c1-9-6-2-4-7(8)5-3-6;/h2-5H,1H3;1H2

InChI key

ABJMARLKAXBQBC-UHFFFAOYSA-N

General description

4-Methoxypyridine N-oxide hydrate is a substituted pyridine N-oxide. It forms 1:1 complexes with MnCl2 and NiCl2 salts. Mechanism of reaction between 4-methoxypyridine N-oxide hydrate and bis(pinacolato) (diboron reagent) in CD3CN has been studied by NMR. It forms 1:1 complex with 2,4-dinitrophenol due to the formation of intermolecular hydrogen bond between the O-H and N-O groups.

Application

4-Methoxypyridine N-oxide hydrate may be used in chemical synthesis.

Pictograms

Exclamation mark

Signal Word

Warning

Hazard Statements

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

Target Organs

Respiratory system

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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1: 1 Complex of 2, 4-dinitrophenol and 4-methoxypyridine N-oxide hydrate.
Moreno-Fuquen R, et al.
Acta Crystallographica Section E, Structure Reports Online, 57(8), o712-o714 (2001)
Hari Prasad Kokatla et al.
The Journal of organic chemistry, 76(19), 7842-7848 (2011-08-05)
Facile reduction of alkylamino-, anilino-, and pyridyl-N-oxides can be achieved via the use of diboron reagents, predominantly bis(pinacolato)- and in some cases bis(catecholato)diboron [(pinB)(2) and (catB)(2), respectively]. Reductions occur upon simply mixing the amine N-oxide and the diboron reagent in
Binuclear chlorine-bridged complexes of manganese (II) and nickel (II) chlorides with pyridine N-oxides.
Karayannis NM, et al.
Inorganic Chemistry, 8(12), 2559-2562 (1969)

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