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167479-13-2

167479-13-2 Structure

167479-13-2 Structure
IdentificationBack Directory
[Name]

4-Bromoindole-2-carboxylic acid methyl ester
[CAS]

167479-13-2
[Synonyms]

Methyl 4-bromoindole-2-carboxylate
Methyl 4-bromo-1H-indole-2-carboxylate 98%
4-Bromoindole-2-carboxylic acid methyl ester
4-bromo-1H-indole-2-carboxylic acid methyl ester
1H-Indole-2-carboxylic acid, 4-broMo-, Methyl ester
[Molecular Formula]

C10H8BrNO2
[MDL Number]

MFCD04966956
[MOL File]

167479-13-2.mol
[Molecular Weight]

254.08
Chemical PropertiesBack Directory
[Boiling point ]

386.2±22.0 °C(Predicted)
[density ]

1.629±0.06 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,Room Temperature
[form ]

solid
[pka]

14.04±0.30(Predicted)
[color ]

Beige
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P280-P261
[HazardClass ]

IRRITANT
[HS Code ]

2924297099
Spectrum DetailBack Directory
[Spectrum Detail]

4-Bromoindole-2-carboxylic acid methyl ester(167479-13-2)1HNMR
Hazard InformationBack Directory
[Synthesis]

2-Propenoic acid, 2-azido-3-(2-bromophenyl)-, methyl ester

220448-44-2

4-Bromoindole-2-carboxylic acid methyl ester

167479-13-2

GENERAL METHOD: Methyl 3-aryl-2-azidoacrylate (20.0 mmol) was added in a single addition to a pre-heated to reflux xylene solution (75 mL) and the reaction was kept at reflux for 2 hours. Upon completion of the reaction, the solvent was removed by rotary evaporator. The resulting residue was purified by silica gel column chromatography with mixed petroleum ether/ethyl acetate solvent as eluent. The synthesis of compounds 12, 18 and 19 has been reported in the literature [9b, 13, 14].

[References]

[1] European Journal of Medicinal Chemistry, 2012, vol. 49, p. 379 - 396
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