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7-(Trifluoromethoxy)-1H-indole

CAS No.
396075-91-5
Chemical Name:
7-(Trifluoromethoxy)-1H-indole
Synonyms
7-(Trifluoromethoxy)-1H-indole;1H-Indole, 7-(trifluoroMethoxy)-
CBNumber:
CB61481998
Molecular Formula:
C9H6F3NO
Molecular Weight:
201.15
MDL Number:
MFCD11109870
MOL File:
396075-91-5.mol
MSDS File:
SDS
Last updated:2025-07-24 18:13:46

7-(Trifluoromethoxy)-1H-indole Properties

Boiling point 247.5±35.0 °C(Predicted)
Density 1.413±0.06 g/cm3(Predicted)
storage temp. 2-8°C
pka 15.38±0.30(Predicted)

SAFETY

Risk and Safety Statements

HS Code  2933998090

7-(Trifluoromethoxy)-1H-indole price

Manufacturer Product number Product description CAS number Packaging Price Updated Buy
Synthonix T50954 7-(Trifluoromethoxy)-1H-indole 95+% 396075-91-5 100mg $130 2026-05-06 Buy
Synthonix T50954 7-(Trifluoromethoxy)-1H-indole 95+% 396075-91-5 250mg $274 2026-05-06 Buy
Synthonix T50954 7-(Trifluoromethoxy)-1H-indole 95+% 396075-91-5 1g $340 2026-05-06 Buy
Synthonix T50954 7-(Trifluoromethoxy)-1H-indole 95+% 396075-91-5 5g $1880 2026-05-06 Buy
Synthonix T50954 7-(Trifluoromethoxy)-1H-indole 95+% 396075-91-5 10g $2820 2026-05-06 Buy
Product number Packaging Price Buy
T50954 100mg $130 Buy
T50954 250mg $274 Buy
T50954 1g $340 Buy
T50954 5g $1880 Buy
T50954 10g $2820 Buy

7-(Trifluoromethoxy)-1H-indole Chemical Properties, Uses, Production

Synthesis

CarbaMic acid, N-[2-(trifluoroMethoxy)-6-[2-(triMethylsilyl)ethynyl]phenyl]-, ethyl ester

396075-92-6

7-(Trifluoromethoxy)-1H-indole

396075-91-5

General procedure for the synthesis of 7-(trifluoromethoxy)-1H-indole from the compound (CAS: 396075-92-6): first, D-7-trifluoromethoxy-1H-indole KOH (1.95 g, 34.8 mmol) was dissolved in tertiary butanol (55 mL), heated to 80 °C and kept for 2 h until the solution became homogeneous and clarified. Subsequently, ethyl (2-trifluoromethoxy-6-trimethylsilylethynyl-phenyl)-carbamate (5.214 g, 15.1 mmol) was added to this solution and heating was continued at 80 °C for 2 hours. After completion of the reaction, the solvent was removed by vacuum distillation. The organic layer was separated by partitioning the residue between ether (Et2O) and water. The organic layer was washed with brine, dried over anhydrous magnesium sulfate (MgSO4), filtered and concentrated in vacuum. The crude product was purified by silica gel column chromatography using ethyl acetate/heptane (1-5%) as eluent to give the final title product 7-(trifluoromethoxy)-1H-indole (1.82 g, 60% yield) as a yellow liquid. The structure of the product was confirmed by 1H NMR (300 MHz, CDCl3) δ 8.40 (br s, 1H), 7.58-7.55 (m, 1H), 7.25 (m, 1H), 7.09-7.07 (m, 2H), 6.62-6.60 (m, 1H); 19F NMR (300 MHz, CDCl3) δ -57.50 (s, 3F ) Confirmation. Elemental analysis (CHN) theoretical values: C 53.74%, H 3.01%, N 6.96%; measured values: C 53.86%, H 3.14%, N 6.97%.

References

[1] Patent: WO2011/79102, 2011, A1. Location in patent: Page/Page column 19
[2] Patent: WO2011/79103, 2011, A1. Location in patent: Page/Page column 29; 30

7-(Trifluoromethoxy)-1H-indole Preparation Products And Raw materials

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1H-Indole, 7-(trifluoroMethoxy)- 7-(Trifluoromethoxy)-1H-indole 396075-91-5