| Identification | Back Directory | [Name]
Methyl 4-(trifluoromethyl)-1H-indole-2-carboxylate | [CAS]
1098340-27-2 | [Synonyms]
Methyl 4-(trifluoromethyl)-1H-indole-2-carboxylate
4-trifluoromethyl-2-indole-3-carboxylic acid methyl ester
1H-Indole-2-carboxylic acid, 4-(trifluoromethyl)-, methyl ester | [Molecular Formula]
C11H8F3NO2 | [MOL File]
1098340-27-2.mol | [Molecular Weight]
243.18 |
| Chemical Properties | Back Directory | [Boiling point ]
334.5±37.0 °C(Predicted) | [density ]
1.403±0.06 g/cm3(Predicted) | [storage temp. ]
2-8°C | [pka]
13.56±0.30(Predicted) | [Appearance]
Off-white to light yellow Solid | [InChI]
InChI=1S/C11H8F3NO2/c1-17-10(16)9-5-6-7(11(12,13)14)3-2-4-8(6)15-9/h2-5,15H,1H3 | [InChIKey]
HEEQKKQXILYZNF-UHFFFAOYSA-N | [SMILES]
N1C2=C(C(C(F)(F)F)=CC=C2)C=C1C(OC)=O |
| Hazard Information | Back Directory | [Synthesis]
General procedure: methyl 2-azido-3-[2-(trifluoromethyl)phenyl]prop-2-enoate (20.0 mmol) was added to preheated xylene (75 mL) in one go, and the reaction was kept at reflux for 2 hours. After completion of the reaction, the solvent was removed by rotary evaporator and the resulting crude product was purified by silica gel column chromatography with the eluent being a mixed petroleum ether/ethyl acetate solvent. The synthesis of compound 4-(trifluoromethyl)-1H-indole-2-carboxylic acid methyl ester was carried out with reference to the methods reported in literature [9b], [13] and [14]. | [References]
[1] European Journal of Medicinal Chemistry, 2012, vol. 49, p. 379 - 396 |
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