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50720-12-2

50720-12-2 Structure

50720-12-2 Structure
IdentificationMore
[Name]

3-Bromo-5-methoxypyridine
[CAS]

50720-12-2
[Synonyms]

3-BROMO-5-METHOXYPYRIDINE
3-METHOXY-5-BROMOPYRIDINE
5-BROMO-3-METHOXYPYRIDINE
5-BROMOPYRIDIN-3-YL METHYL ETHER
5-METHOXY-3-BROMOPYRIDINE
AURORA KA-6712
3-Bromo-5-methoxypyridine CAS:50720-12-2
[EINECS(EC#)]

629-553-1
[Molecular Formula]

C6H6BrNO
[MDL Number]

MFCD00234169
[Molecular Weight]

188.02
[MOL File]

50720-12-2.mol
Chemical PropertiesBack Directory
[Appearance]

White to yellow low melting solid
[Melting point ]

31-35 °C (lit.)
[Boiling point ]

212.2±20.0 °C(Predicted)
[density ]

1.530±0.06 g/cm3(Predicted)
[Fp ]

215 °F
[storage temp. ]

Inert atmosphere,Room Temperature
[solubility ]

soluble in Methanol
[form ]

Low Melting Solid
[pka]

2.26±0.10(Predicted)
[color ]

White to yellow
[InChI]

InChI=1S/C6H6BrNO/c1-9-6-2-5(7)3-8-4-6/h2-4H,1H3
[InChIKey]

FZWUIWQMJFAWJW-UHFFFAOYSA-N
[SMILES]

C1=NC=C(OC)C=C1Br
[CAS DataBase Reference]

50720-12-2(CAS DataBase Reference)
Safety DataBack Directory
[Symbol(GHS) ]

Corrosion (GHS05)Exclamation Mark (GHS07)
GHS05,GHS07
[Signal word ]

Danger
[Hazard statements ]

H302-H318
[Precautionary statements ]

P280-P301+P312+P330-P305+P351+P338+P310
[Hazard Codes ]

Xn,Xi
[Risk Statements ]

R22:Harmful if swallowed.
R41:Risk of serious damage to eyes.
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S39:Wear eye/face protection .
[WGK Germany ]

3
[HazardClass ]

IRRITANT, IRRITANT-HARMFUL
[HS Code ]

29339900
Raw materials And Preparation ProductsBack Directory
[Raw materials]

3,5-Dibromopyridine-->Methanol-->Sodium Methoxide-->Water-->Sodium-->N,N-Dimethylformamide
[Preparation Products]

5-Methoxypyridine-3-boronic acid-->5-BROMO-3-METHOXY-2-NITROPYRIDINE-->5-METHOXY-PYRIDINE-3-CARBALDEHYDE-->4-(bromomethyl)-3-methoxy-1,5-naphthyridine-->3-Bromo-5-hydroxypyridine
Hazard InformationBack Directory
[Chemical Properties]

White to yellow low melting solid
[Uses]

3-Bromo-5-methoxypyridine is a biochemical reagent that can be used as a biological material or organic compound for life science related research.
[Synthesis]

3,5-Dibromopyridine

625-92-3

3-Bromo-5-methoxypyridine

50720-12-2

Example 7A Synthesis of 3-bromo-5-methoxypyridine: Methanol (180 mL) was treated batchwise with sodium pellets (4.7 g, 0.20 mol) under dry conditions and subsequently evaporated to dryness. The residue was azeotroped with toluene (100 mL) and then concentrated under reduced pressure to completely remove water. To dry DMF (130 mL), the sodium methanol solution prepared above was added, followed by 3,5-dibromopyridine (32 g, 135 mmol, purchased from Avocado Chemicals). The reaction mixture was heated at 70 °C for 4 hours. After completion of the reaction, the mixture was slowly poured into an ice/water mixture (300 g) and the precipitate was collected by filtration. The filter cake was dried under reduced pressure to give the target product 3-bromo-5-methoxypyridine (15.6 g, 62% yield). Mass spectrometry analysis (DCI/NH3) showed m/z 188/190 (M + H)+, confirming the product structure.

[References]

[1] Patent: US2002/19388, 2002, A1
[2] Recueil des Travaux Chimiques des Pays-Bas, 1955, vol. 74, p. 1171,1174
[3] Patent: US6392045, 2002, B1
[4] Patent: US5948793, 1999, A
[5] Patent: US6127386, 2000, A
Spectrum DetailBack Directory
[Spectrum Detail]

3-Bromo-5-methoxypyridine(50720-12-2)1HNMR
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

3-Bromo-5-methoxypyridine, 97%(50720-12-2)
[Alfa Aesar]

3-Bromo-5-methoxypyridine, 97%(50720-12-2)
[Sigma Aldrich]

50720-12-2(sigmaaldrich)
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