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324-41-4

324-41-4 Structure

324-41-4 Structure
IdentificationBack Directory
[Name]

2-Bromo-6-fluoronaphthalene
[CAS]

324-41-4
[Synonyms]

EOS-60456
2-Bromo-6-fluorophthalene
2-Bromo-6-fluoronaphthalene
2-fluoro-6-bromonaphthalene
5.2-Bromo-6-fluoro-naphthalene
Naphthalene, 2-bromo-6-fluoro-
[EINECS(EC#)]

692-892-9
[Molecular Formula]

C10H6BrF
[MDL Number]

MFCD09763683
[MOL File]

324-41-4.mol
[Molecular Weight]

225.06
Chemical PropertiesBack Directory
[Melting point ]

64.0 to 68.0 °C
[Boiling point ]

140°C/9mmHg(lit.)
[density ]

1.563
[storage temp. ]

Sealed in dry,Room Temperature
[form ]

powder to crystal
[color ]

White to Light yellow to Light orange
Safety DataBack Directory
[Hazard Codes ]

Xi
[HazardClass ]

IRRITANT
[HS Code ]

2903998090
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Ammonium hydroxide-->Sodium sulfite-->6-Bromo-2-naphthol-->Hexafluorophosphoric acid-->2-Naphthalenecarbonyl chloride, 6-fluoro-
[Preparation Products]

6-FLUORO-2-NAPHTHOIC ACID
Hazard InformationBack Directory
[Chemical Properties]

white solid
[Synthesis]

2-Naphthalenecarbonyl chloride, 6-fluoro-

87700-58-1

2-Bromo-6-fluoronaphthalene

324-41-4

Step 2: In a dry reaction flask, 6-fluoro-2-naphthalenecarbonyl chloride (472 mg, 2.097 mmol) with AIBN (173 mg, 1.052 mmol) was dissolved in CBrCl3 (10 mL). The above solution was slowly added dropwise to a mixture containing 2-mercaptopyridine N-oxide sodium salt (981 mg, 6.58 mmol) and CBrCl3 (10 mL) under nitrogen protection at 100 °C over 30 min. After the dropwise addition, the reaction mixture was continued to be stirred at 100 °C for 15 min and subsequently cooled to room temperature. The reaction solution was quenched with deionized water (H2O) and extracted with ethyl acetate (EtOAc, 2 × 10 mL). The organic phases were combined, dried with anhydrous magnesium sulfate (MgSO4), filtered and concentrated under reduced pressure. The crude product was purified by a Biotage fast chromatography system (elution gradient: 0-5% EtOAc/heptane; column: SNAP25) to afford the target compound 2-bromo-6-fluoronaphthalene (6b, 472 mg, 40% yield) as a white solid.1H NMR (400 MHz, MeOD) δ ppm: 7.34 (td, J = 8.84, 2.59 Hz, 1H), 7.49-7.57 (m, 1H), 7.60 (ddd, J = 8.78, 1.96, 0.69 Hz, 1H), 7.77 (d, J = 8.84 Hz, 1H), 7.87 (dd, J = 9.09, 5.56 Hz, 1H), 8.09 (d, J = 1.58 Hz, 1H).

[References]

[1] Patent: WO2011/61168, 2011, A1. Location in patent: Page/Page column 53
Spectrum DetailBack Directory
[Spectrum Detail]

2-Bromo-6-fluoronaphthalene(324-41-4)1HNMR
2-Bromo-6-fluoronaphthalene(324-41-4)FT-IR
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