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880360-85-0

880360-85-0 Structure

880360-85-0 Structure
IdentificationBack Directory
[Name]

2-formyl-1H-Indole-5-carboxylic acid methyl ester
[CAS]

880360-85-0
[Synonyms]

methyl 2-formyl-1H-indole-5-carboxylate
2-formyl-1H-Indole-5-carboxylic acid methyl ester
1H-Indole-5-carboxylic acid, 2-formyl-, methyl ester
[Molecular Formula]

C11H9NO3
[MDL Number]

MFCD20528190
[MOL File]

880360-85-0.mol
[Molecular Weight]

203.19
Chemical PropertiesBack Directory
[Boiling point ]

404.4±25.0 °C(Predicted)
[density ]

1.341±0.06 g/cm3(Predicted)
[storage temp. ]

under inert gas (nitrogen or Argon) at 2-8°C
[pka]

14.14±0.30(Predicted)
[Appearance]

Light yellow to yellow Solid
Spectrum DetailBack Directory
[Spectrum Detail]

2-formyl-1H-Indole-5-carboxylic acid methyl ester(880360-85-0)1HNMR
Hazard InformationBack Directory
[Synthesis]

methyl 2-(hydroxymethyl)-1H-indole-5-carboxylate

190071-26-2

2-formyl-1H-Indole-5-carboxylic acid methyl ester

880360-85-0

General procedure for the synthesis of methyl 2-(hydroxymethyl)-1H-indole-5-carboxylate from methyl 2-(hydroxymethyl)-1H-indole-5-carboxylate: to a stirred solution of methyl 2-(hydroxymethyl)-1H-indole-5-carboxylate (4.7 g, 23.1 mmol) in 70 mL of chloroform was added MnO2 (12.5 g, 115.4 mmol) in batches. After 14 hours of reaction, the mixture was filtered through a diatomaceous earth plug and the filtrate was concentrated under reduced pressure to give methyl 2-formyl-1H-indole-5-carboxylate (4.0 g, 85% yield) as a brown oil. The product could be used in subsequent reactions without further purification. Thin layer chromatography (TLC) Rf = 0.21 (20% EtOAc/hexane). Elemental analysis (C11H11NO3) Calculated value: exact mass 203.06; measured value: 203.06. low resolution mass spectrometry (LRMS) APCI (M-1) m/z 202.

[References]

[1] Patent: US2006/69087, 2006, A1. Location in patent: Page/Page column 14
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