ChemicalBook--->CAS DataBase List--->10242-01-0

10242-01-0

10242-01-0 Structure

10242-01-0 Structure
IdentificationMore
[Name]

5-Methoxy-3-indolecarboxylic acid
[CAS]

10242-01-0
[Synonyms]

5-METHOXY-1H-INDOLE-3-CARBOXYLIC ACID
5-METHOXY-3-CARBOXYINDOLE
5-METHOXY-3-INDOLECARBOXYLIC ACID
5-METHOXYINDOLE-3-CARBOXYLIC ACID
RARECHEM AL BE 0096
[Molecular Formula]

C10H9NO3
[MDL Number]

MFCD03265451
[Molecular Weight]

191.18
[MOL File]

10242-01-0.mol
Chemical PropertiesBack Directory
[Melting point ]

172-175 °C
[Boiling point ]

447.6±25.0 °C(Predicted)
[density ]

1.381±0.06 g/cm3(Predicted)
[storage temp. ]

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

Crystalline
[pka]

3.95±0.30(Predicted)
[color ]

Red
[CAS DataBase Reference]

10242-01-0(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

22
[HazardClass ]

IRRITANT
[HS Code ]

2933998090
Hazard InformationBack Directory
[Uses]

5-Methoxyindole-3-carboxylic Acid can be used in the synthesis of benzoheterocycle derivatives as vascular endothelial growth factor receptor-2 tyrosine kinase inhibitors and in the synthesis of indoleamine 2,3-dioxygenase 1 inhibitors with potential antitumor activity.
[Synthesis]

5-Methoxyindole

1006-94-6

Carbon dioxide

124-38-9

5-Methoxy-3-indolecarboxylic acid

10242-01-0

The general procedure for the synthesis of 5-methoxy-1H-indole-3-carboxylic acid from 5-methoxyindole and carbon dioxide was as follows: lithium tert-butoxide (LiOtBu, 160 mg, 2.00 mmol) and 5-methoxyindole (1a, 23.4 mg, 0.4 mmol) were added to a dry two-necked test tube. The reaction vessel was evacuated under high vacuum and the reaction atmosphere was replaced with a carbon dioxide balloon. Subsequently, N,N-dimethylformamide (DMF, 2 mL) was added and the mixture was stirred at 100 °C for 24 h of reaction. Upon completion of the reaction, the mixture was cooled to room temperature, the reaction was carefully quenched with 2N hydrochloric acid (HCl) solution and extracted with ethyl acetate (EtOAc, 5 times). The organic layers were combined, washed sequentially with water (2 times) and saturated brine (1 time) and dried over anhydrous magnesium sulfate (MgSO4). The dried organic phase was concentrated under reduced pressure and the residue was purified by preparative thin layer chromatography (TLC, unfolding reagent ratio of petroleum ether: acetone = 1:1) to afford the target product 5-methoxy-1H-indole-3-carboxylic acid (2a, 153.0 mg, 95% yield) as a white solid.

[References]

[1] Organic Letters, 2012, vol. 14, # 20, p. 5326 - 5329,4
[2] Heterocycles, 2015, vol. 90, # 2, p. 1196 - 1204
Spectrum DetailBack Directory
[Spectrum Detail]

5-Methoxy-3-indolecarboxylic acid(10242-01-0)1HNMR
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