1H-Indole-2-carboxylic acid, 6-(trifluoromethyl)-, ethyl ester
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1H-Indole-2-carboxylic acid, 6-(trifluoromethyl)-, ethyl ester
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CAS No:
327-21-9
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Formula:
C12H10F3NO2
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Chemical Name:
1H-Indole-2-carboxylic acid, 6-(trifluoromethyl)-, ethyl ester
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Synonyms:
1H-Indole-2-carboxylic acid,6-(trifluoromethyl)-,ethyl ester;Indole-2-carboxylic acid,6-(trifluoromethyl)-,ethyl ester;6-Trifluoromethyl-1H-indole-2-carboxylic acid ethyl ester;Ethyl 6-(trifluoromethyl)-1H-indole-2-carboxylate
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CAS No:
1H-Indole-2-carboxylic acid, 6-(trifluoromethyl)-, ethyl ester Basic Attributes
257.21
257.21
DTXSID50624614
2933990090
1H-Indole-2-carboxylic acid, 6-(trifluoromethyl)-, ethyl ester Use and Manufacturing
A 1000 mL flask was charged with toluene(26 g, 94.8 mmol), (E) -ethyl-2- (2- (3- (trifluoromethyl) phenyl) hydrazano) propanoate synthesized in the above Step 1, Respectively. Then, polyphosphoric acid (150 g) was added thereto, followed by reflux reaction for 6 hours. When the reaction was completed, the reaction mixture was cooled to 50 °C. and only the toluene layer was separated, and then the separated toluene layer was concentrated under reduced pressure. Toluene (50 mL) was added to the solid formed and refluxed for 1 hour and then cooled to room temperature. Thereafter, the recrystallized solid was filtered to obtain ethyl-6- (trifluoromethyl) -1H-indole-2-carboxylate (1.25 g, 4.86 mmol, 5percent).
Computed Properties
Molecular Weight:257.21
XLogP3:4.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:257.06636305
Monoisotopic Mass:257.06636305
Topological Polar Surface Area:42.1
Heavy Atom Count:18
Complexity:319
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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