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Home > Encyclopedia > 1H-Indole-2-carboxylic acid, 6-(trifluoromethyl)-, ethyl ester

1H-Indole-2-carboxylic acid, 6-(trifluoromethyl)-, ethyl ester

1H-Indole-2-carboxylic acid, 6-(trifluoromethyl)-, ethyl ester structure

1H-Indole-2-carboxylic acid, 6-(trifluoromethyl)-, ethyl ester 

structure
  • CAS No:

    327-21-9

  • Formula:

    C12H10F3NO2

  • Chemical Name:

    1H-Indole-2-carboxylic acid, 6-(trifluoromethyl)-, ethyl ester

  • 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

  • Categories:

    Chemical Reagents  >  Organic Reagents

1H-Indole-2-carboxylic acid, 6-(trifluoromethyl)-, ethyl ester Basic Attributes

257.21

257.21

DTXSID50624614

2933990090

Characteristics

42.1

4.1

1.4±0.1 g/cm3

163.8±26.5 °C

1.544

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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