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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 2108945Generated: October 26, 2026

Water → Methyl 6-(trifluoromethyl)-1H-indazole-3-carboxylate

https://huagongshe.com/reaction/2108945

Reaction equation

Participants

RoleNameHCIDCharge
ReactantWaterHCID 962—
ReactantTert-Butyl nitriteHCID 10906—
Reactant(2-Acetylamino-4-trifluoromethylphenyl)-acetic acid methyl esterHCID 57633614—
SolventAcetic AcidHCID 176—
ProductMethyl 6-(trifluoromethyl)-1H-indazole-3-carboxylateHCID 53408454—

Reaction Conditions

Temperature95 °C

Reaction Steps

To a solution of (2-acetylamino-4-trifluoromethylphenyl)-acetic acid methyl ester (16 g, 0.058 mol) in acetic acid (50 mL) was added dropwise t-butyl nitrite (90%) (7.35 g, 0.063 mol) over a period of 20 min. at 90-95° C. The mixture was then stirred for 0.5 h at 95° C., poured into cold water and stirred for 1 h. The precipitates were collected by filtration and washed with water. The crude material was dissolved in ethyl acetate and dried over sodium sulfate. The solvent was removed in vacuo. This material (13.4 g, 95%) was used without further purification in the next step. A small sample was crystallized from ethyl acetate to yield a white solid, mp 240-242° C. 1H NMR (DMSO-d-6) 8.25 (d, J=8.5 Hz, 1H), 8.04 (s, 1H), 7.58 (d, J=8.5 Hz, 1H), 3.95 (s, 3H). MS (FAB) m/z: 245.1 (M++1).

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS07514463B2
Source datasetuspto-grants-2009_04
ORD IDord-d637fa0db9114d579861c5e83b4f1477
Source noteuspto-grants-2009_04