ChemicalBook--->CAS DataBase List--->1052714-46-1

1052714-46-1

1052714-46-1 Structure

1052714-46-1 Structure
IdentificationBack Directory
[Name]

6-Bromo-5-fluoro-2-pyridinecarboxylic acid
[CAS]

1052714-46-1
[Synonyms]

6-BroMo-5-fluoropicolinic acid
6-Bromo-5-fluoro-2-pyridinecarboxylic acid
2-Pyridinecarboxylic acid, 6-broMo-5-fluoro-
[Molecular Formula]

C6H3BrFNO2
[MDL Number]

MFCD13185797
[MOL File]

1052714-46-1.mol
[Molecular Weight]

220
Chemical PropertiesBack Directory
[Boiling point ]

331.3±42.0 °C(Predicted)
[density ]

1.903
[storage temp. ]

under inert gas (nitrogen or Argon) at 2-8°C
[form ]

solid
[pka]

3.19±0.10(Predicted)
[Appearance]

White to off-white Solid
[InChI]

1S/C6H3BrFNO2/c7-5-3(8)1-2-4(9-5)6(10)11/h1-2H,(H,10,11)
[InChIKey]

UVDJYBXHNFJTME-UHFFFAOYSA-N
[SMILES]

OC(C1=CC=C(C(Br)=N1)F)=O
Safety DataBack Directory
[Symbol(GHS) ]

Skull and Crossbones (GHS06)Health Hazard (GHS08)
GHS06,GHS08
[Signal word ]

Danger
[Hazard statements ]

H301-H311-H331-H341
[Precautionary statements ]

P201-P202-P261-P264-P270-P271-P280-P302+P352-P304+P340-P308+P313-P310-P330-P361-P403+P233-P405-P501
[RIDADR ]

UN2811
[HS Code ]

2933399990
[Storage Class]

6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects
[Hazard Classifications]

Acute Tox. 3 Oral
Spectrum DetailBack Directory
[Spectrum Detail]

6-Bromo-5-fluoro-2-pyridinecarboxylic acid(1052714-46-1)1HNMR
Hazard InformationBack Directory
[Synthesis]

2-Bromo-3-fluoro-6-picoline

374633-36-0

6-Bromo-5-fluoro-2-pyridinecarboxylic acid

1052714-46-1

General procedure for the synthesis of 6-bromo-5-fluoro-2-pyridinecarboxylic acid from 2-bromo-3-fluoro-6-methylpyridine: Potassium permanganate (1.0 eq.) was added to a solution of 2-bromo-3-fluoro-6-methylpyridine (1.0 eq.) in water (30 mL). The reaction mixture was heated at 100 °C for 5 hours and then potassium permanganate (1.0 eq.) was added. After continuing to heat the reaction for 48 hours, the reaction mixture was filtered through a diatomaceous earth pad (4 cm × 2 in.) and washed with deionized water (150 mL). The combined aqueous phases were acidified with 1 N hydrochloric acid to pH = 4 and subsequently extracted with ethyl acetate (200 mL). The organic phase was washed with saturated sodium chloride solution, dried over anhydrous magnesium sulfate, filtered and concentrated to give 6-bromo-5-fluoro-2-pyridinecarboxylic acid in 17% yield as a white solid.LCMS (m/z): 221.9 (MH+); retention time (Rt) = 2.05 min.

[References]

[1] Patent: US2010/56576, 2010, A1. Location in patent: Page/Page column 46
[2] Patent: WO2012/4217, 2012, A1. Location in patent: Page/Page column 62-63
[3] Patent: WO2012/82689, 2012, A1. Location in patent: Page/Page column 91-92
[4] Patent: US2012/225061, 2012, A1
[5] Patent: US2012/225062, 2012, A1
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