ChemicalBook--->CAS DataBase List--->25813-25-6

25813-25-6

25813-25-6 Structure

25813-25-6 Structure
IdentificationBack Directory
[Name]

3,5-DIBROMO-4-PYRIDINOL
[CAS]

25813-25-6
[Synonyms]

NSC 203048
3,5-dibromo-4-pyridino
3,5-DIBROMOPYRIDIN-4-OL
4-Pyridinol, 3,5-dibromo-
4-HYDROXY-3,5-DIBROMOPYRIDINE
[Molecular Formula]

C5H3Br2NO
[MDL Number]

MFCD00082969
[MOL File]

25813-25-6.mol
[Molecular Weight]

252.89
Chemical PropertiesBack Directory
[Melting point ]

370℃ (dec.)
[Boiling point ]

317.5±37.0 °C(Predicted)
[density ]

2.228±0.06 g/cm3(Predicted)
[storage temp. ]

Storage temp. 2-8°C
[pka]

6.47±0.10(Predicted)
[Appearance]

White to off-white Solid
[InChI]

InChI=1S/C5H3Br2NO/c6-3-1-8-2-4(7)5(3)9/h1-2H,(H,8,9)
[InChIKey]

MXBBVOSRBZCCOD-UHFFFAOYSA-N
[SMILES]

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

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H332-H335
[Precautionary statements ]

P261-P280-P305+P351+P338
[HS Code ]

2933399990
Spectrum DetailBack Directory
[Spectrum Detail]

3,5-DIBROMO-4-PYRIDINOL(25813-25-6)MS
3,5-DIBROMO-4-PYRIDINOL(25813-25-6)1HNMR
3,5-DIBROMO-4-PYRIDINOL(25813-25-6)IR1
3,5-DIBROMO-4-PYRIDINOL(25813-25-6)IR2
Hazard InformationBack Directory
[Synthesis]

4-Hydroxypyridine

626-64-2

3,5-DIBROMO-4-PYRIDINOL

25813-25-6

Step 36-1: 4-Hydroxypyridine (T96-1, 7.0 g, 74 mmol) was dissolved in carbon tetrachloride (360 mL) at room temperature. Subsequently, N-bromosuccinimide (NBS, 26.2 g, 0.147 mol) was added to this solution. The reaction mixture was to be covered with aluminum foil to avoid light and stirred continuously for 24 h in a dark environment. After completion of the reaction, the reaction mixture was concentrated by distillation under reduced pressure. The resulting residue was sequentially purified by grinding with methanol and acetone to give 4-hydroxy-3,5-dibromopyridine (T96-2, 18.9 g, 100% yield).

[References]

[1] Patent: US2010/93720, 2010, A1. Location in patent: Page/Page column 58
[2] Synthesis, 2001, # 14, p. 2175 - 2179
[3] Patent: WO2018/92047, 2018, A1. Location in patent: Page/Page column 94
[4] Patent: EP3351533, 2018, A1. Location in patent: Paragraph 0676; 0677
[5] Patent: JP2018/145180, 2018, A. Location in patent: Paragraph 0633; 0634; 635
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