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ChemicalBook--->CAS DataBase List--->941714-57-4

941714-57-4

941714-57-4 Structure

941714-57-4 Structure
IdentificationBack Directory
[Name]

3-BROMO-1H-PYRROLE-2-CARBOXYLIC ACID METHYL ESTER
[CAS]

941714-57-4
[Synonyms]

SW-83
SWF-83
Methyl 3-BroMopyrrole-2-carboxylate
3-BroMo-1H-pyrrole-carboxylate Methyl
methyl 3-bromo-1H-pyrrole-2-carboxylate
3-BROMO-1H-PYRROLE-2-CARBOXYLIC ACID METHYL ESTER
1H-Pyrrole-2-carboxylic acid, 3-bromo-, methyl ester
[Molecular Formula]

C6H6BrNO2
[MDL Number]

MFCD23106341
[MOL File]

941714-57-4.mol
[Molecular Weight]

204.02
Chemical PropertiesBack Directory
[Boiling point ]

286.2±20.0 °C(Predicted)
[density ]

1.674±0.06 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,2-8°C
[pka]

13.49±0.50(Predicted)
[Appearance]

White to yellow Solid
Safety DataBack Directory
[Symbol(GHS) ]


GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P305+P351+P338
Spectrum DetailBack Directory
[Spectrum Detail]

3-BROMO-1H-PYRROLE-2-CARBOXYLIC ACID METHYL ESTER(941714-57-4)1HNMR
Hazard InformationBack Directory
[Synthesis]

methyl 3-bromo-1-(phenylsulfonyl)-1H-pyrrole-2-carboxylate

1192217-76-7

3-BROMO-1H-PYRROLE-2-CARBOXYLIC ACID METHYL ESTER

941714-57-4

a) Synthesis of methyl 3-bromo-1H-pyrrole-2-carboxylate: methyl 3-bromo-1-(phenylsulfonyl)-1H-pyrrole-2-carboxylate (6.59 g, 19.2 mmol) was dissolved in 132 mL of methanol. Sodium methanolate (1.55 g, 28.7 mmol) was added and the reaction mixture was stirred for 4 hours at room temperature. After completion of the reaction, the solvent was removed by evaporation and the residue was extracted by partitioning with saturated aqueous ammonium chloride solution and ethyl acetate. The organic layer was washed sequentially with water and brine, dried over anhydrous magnesium sulfate, filtered and concentrated under reduced pressure. Purification by fast column chromatography (eluent: 0% to 30% hexane/ethyl acetate gradient) afforded 3.32 g (85% yield) of the target product methyl 3-bromopyrrole-2-carboxylate. Low resolution mass spectrometry (LRMS) showed m/z: 203,205 ([M+1]+).

[References]

[1] Patent: WO2012/146666, 2012, A1. Location in patent: Page/Page column 188-189
[2] Patent: WO2014/60432, 2014, A1. Location in patent: Page/Page column 132
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