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949922-62-7

949922-62-7 Structure

949922-62-7 Structure
IdentificationBack Directory
[Name]

TERT-BUTYL 2-BROMO-6,7-DIHYDROTHIENO[3,2-C]PYRIDINE-5(4H)CARBOXYLATE
[CAS]

949922-62-7
[Synonyms]

2-c]pyridine-5(4H)-carboxylate
2-Bromo-5-Boc-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
N-Boc-2-bromo-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
tert-Butyl 2-bromo-6,7-dihydrothieno[3,2-c]pyridine-5(4H)
tert-butyl 2-broMo-4H,5H,6H,7H-thieno[3,2-c]pyridine-5-carboxylate
TERT-BUTYL 2-BROMO-6,7-DIHYDROTHIENO[3,2-C]PYRIDINE-5(4H)CARBOXYLATE
tert-butyl 2-bromo-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate
2-Bromo-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylic acid tert-butyl ester
2-bromo-6,7-dihydrothieno[3,2-c]pyridine-5(4H)-carboxylic acid tert-butyl ester
Thieno[3,2-c]pyridine-5(4H)-carboxylic acid, 2-bromo-6,7-dihydro-, 1,1-dimethylethyl ester
[Molecular Formula]

C12H16BrNO2S
[MDL Number]

MFCD09878703
[MOL File]

949922-62-7.mol
[Molecular Weight]

318.23
Chemical PropertiesBack Directory
[Boiling point ]

382.8±42.0 °C(Predicted)
[density ]

1.445±0.06 g/cm3(Predicted)
[storage temp. ]

Keep in dark place,Inert atmosphere,2-8°C
[pka]

-1.62±0.20(Predicted)
[Appearance]

White to off-white Solid
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
Spectrum DetailBack Directory
[Spectrum Detail]

TERT-BUTYL 2-BROMO-6,7-DIHYDROTHIENO[3,2-C]PYRIDINE-5(4H)CARBOXYLATE(949922-62-7)1HNMR
Hazard InformationBack Directory
[Synthesis]

tert-butyl 6,7-dihydrothieno[3,2-c]pyridine-5(4H)-carboxylate

230301-73-2

TERT-BUTYL 2-BROMO-6,7-DIHYDROTHIENO[3,2-C]PYRIDINE-5(4H)CARBOXYLATE

949922-62-7

Tert-butyl 6,7-dihydrothieno[3,2-c]pyridine-5(4H)-carboxylate (5.0 g, 20.89 mmol) was used as starting material and dissolved in acetonitrile (25 mL). To this solution was added N-bromosuccinimide (4.09 g, 22.98 mmol) at room temperature and the reaction mixture was stirred overnight. Upon completion of the reaction, the reaction was quenched by the addition of water (50 mL) and subsequently extracted with ethyl acetate (50 mL × 2). The organic phases were combined and washed sequentially with water (50 mL × 2) and saturated brine (40 mL), then dried over anhydrous sodium sulfate. The solvent was removed by concentration under reduced pressure, and the crude product obtained was purified by column chromatography (eluent: petroleum ether/ethyl acetate, v/v = 20/1) to give the final white solid product tert-butyl 2-bromo-6,7-dihydrothieno[3,2-c]pyridine-5(4H)-carboxylate (6.21 g, 93% yield).

[References]

[1] Patent: CN104497008, 2016, B. Location in patent: Paragraph 0190; 0195; 0196
[2] European Journal of Medicinal Chemistry, 2018, vol. 145, p. 389 - 403
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