ChemicalBook--->CAS DataBase List--->405174-97-2

405174-97-2

405174-97-2 Structure

405174-97-2 Structure
IdentificationBack Directory
[Name]

3-Bromo-2-pyridinecarboxaldehyde
[CAS]

405174-97-2
[Synonyms]

3-bromopicolinaldehyde
3-Bromo-2-formylpyridine
3-BroMo-2-carboxaldehyde p
3-bromo-2-pyridineformaldehyde
3-Bromopyridine-2-carboxaldehyde
3-Bromo-2-pyridinecarboxaldehyde
3-Bromolpyridine-2-carboxaldehyde
3-BroMo-2-carboxaldehyde pyridine
2-Pyridinecarboxaldehyde, 3-bromo-
3-Bromo-2-formylpyridine, 3-Bromopicolinaldehyde
3-Bromo-2-pyridinecarboxaldehyde ISO 9001:2015 REACH
[Molecular Formula]

C6H4BrNO
[MDL Number]

MFCD07781220
[MOL File]

405174-97-2.mol
[Molecular Weight]

186.01
Chemical PropertiesBack Directory
[Boiling point ]

223.0±20.0 °C(Predicted)
[density ]

1.683±0.06 g/cm3(Predicted)
[storage temp. ]

Inert atmosphere,2-8°C
[form ]

crystalline solid
[pka]

1.12±0.10(Predicted)
[color ]

Faint orange
[InChI]

InChI=1S/C6H4BrNO/c7-5-2-1-3-8-6(5)4-9/h1-4H
[InChIKey]

DCOPXKMVVJNPSW-UHFFFAOYSA-N
[SMILES]

C1(C=O)=NC=CC=C1Br
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P271-P280
[WGK Germany ]

WGK 3
[HS Code ]

2933399990
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Oral
Eye Irrit. 2
Spectrum DetailBack Directory
[Spectrum Detail]

3-Bromo-2-pyridinecarboxaldehyde(405174-97-2)1HNMR
3-Bromo-2-pyridinecarboxaldehyde(405174-97-2)FT-IR
Hazard InformationBack Directory
[Synthesis]

3-Bromo-2-methylpyridine

38749-79-0

3-Bromo-2-pyridinecarboxaldehyde

405174-97-2

General procedure for the synthesis of 3-bromopyridine-2-carbaldehyde from 2-methyl-3-bromopyridine: 3-bromo-2-methylpyridine (258 mg, 1.5 mmol) was dissolved in dioxane (5 mL), followed by the addition of selenium dioxide (666 mg, 6.0 mmol) under stirring conditions. The reaction mixture was heated to reflux for 48 hours. Upon completion of the reaction, the mixture was allowed to cool to room temperature and the filtrate was collected by filtration. The residue was purified by column chromatography to give a light yellow solid product (175 mg, 63% yield).

[References]

[1] Organic and Biomolecular Chemistry, 2012, vol. 10, # 6, p. 1239 - 1245
[2] Patent: CN103570683, 2018, B. Location in patent: Paragraph 0687; 0691-0694
[3] Patent: US2016/176882, 2016, A1. Location in patent: Paragraph 0361; 0362
[4] Patent: WO2017/221100, 2017, A1. Location in patent: Paragraph 00170
[5] Tetrahedron Letters, 2005, vol. 46, # 36, p. 6033 - 6036
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