ChemicalBook--->CAS DataBase List--->399-88-2

399-88-2

399-88-2 Structure

399-88-2 Structure
IdentificationMore
[Name]

3-Fluoro-4-methylpyridine
[CAS]

399-88-2
[Synonyms]

3-FLUORO-4-METHYLPYRIDINE
3-FLUORO-4-PICOLINE
3-FLUORO-4-METHYLPYRIDINE (3-FLUORO-4-PICOLINE)
4-METHYL-3-FLUOROPYRIDINE
[EINECS(EC#)]

675-120-5
[Molecular Formula]

C6H6FN
[MDL Number]

MFCD04114226
[Molecular Weight]

111.12
[MOL File]

399-88-2.mol
Chemical PropertiesBack Directory
[Boiling point ]

135,6 C
[density ]

1.08 g/cm
[refractive index ]

1,479
[storage temp. ]

Inert atmosphere,Room Temperature
[form ]

Liquid
[pka]

3.48±0.18(Predicted)
[color ]

Colorless to pale yellow
[CAS DataBase Reference]

399-88-2(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

T,Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
[RIDADR ]

1993
[HazardClass ]

3
[PackingGroup ]

[HS Code ]

2933399990
Spectrum DetailBack Directory
[Spectrum Detail]

3-Fluoro-4-methylpyridine(399-88-2)1HNMR
Hazard InformationBack Directory
[Synthesis]

3-Fluoro-4-methylpyridine To a cooled (-78℃) solution of N, N-diisopropylamine (15.92mL, 113.4mmol) in THF (14OmL) a solution of BuLi 2.5M in hexane (45.4ml, 113.4 mmol) was added dropwise over 30 minutes under an atmosphere of Argon. The mixture was stirred for 30 min. at - 78℃ and a solution of 3-fluoropyridine (10g, 103.1 mmol) in THF (5ml) was added. After 1h at -780C, the mixture was treated with MeI (7 ml, 113.4mmol) and then was allowed to reach 250C. A solution of NaHCO3 saturated (30ml) was added and the aqueous phase was extracted with diethyl ether. The organic layer was dried (MgSO4) and upon distillation the product was collected as a colourless liquid 3-Fluoro-4-methylpyridine, bp 1300C, yield 5.3 g (47percent).
[References]

[1] Patent: WO2007/17096, 2007, A1. Location in patent: Page/Page column 70-71
[2] Journal of Medicinal Chemistry, 2003, vol. 46, # 4, p. 461 - 473
[3] Patent: US6455532, 2002, B1
[4] Patent: US6350745, 2002, B1. Location in patent: Page column 15;16
[5] Patent: WO2006/35967, 2006, A1. Location in patent: Page/Page column 98-99
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