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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 2078944Generated: October 26, 2026

Trifluoroacetic acid → 3-(9-bromo-4,5-dihydrobenzo[b]thieno[2,3-d]oxepin-2-yl)-4-(2-chloro-4-(trifluoromethyl)phenyl)-4H-1,2,4-triazole

https://huagongshe.com/reaction/2078944

Reaction equation

Participants

RoleNameHCIDCharge
ReactantTrifluoroacetic acidHCID 6422—
ReactantDiisopropylethylamineHCID 81531—
Reactant2-Chloro-4-trifluoromethylanilineHCID 162001—
Reactant2-(9-Bromo-4,5-dihydro-6-oxa-1-thia-benzo[e]azulen-2-yl)-[1,3,4]oxadiazoleHCID 66886809—
SolventTolueneHCID 1140—
Product3-(9-bromo-4,5-dihydrobenzo[b]thieno[2,3-d]oxepin-2-yl)-4-(2-chloro-4-(trifluoromethyl)phenyl)-4H-1,2,4-triazoleHCID 5790030736.3%

Reaction Conditions

Temperature160 °C

Reaction Steps

A microwave tube charged with 2-(9-bromo-4,5-dihydro-6-oxa-1-thia-benzo[e]azulen-2-yl)-[1,3,4]oxadiazole (200 mg; 0.57 mmol), 2-chloro-4-trifluoromethylaniline (0.12 ml; 0.86 mmol), TFA (64 μl; 0.86 mmol) and toluene (1.5 ml) was heated in a microwave at 160° C. for 30 min. The reaction mixture was basified with DIPEA (0.2 ml), volatiles removed in vacuo and the residue purified by prep. LCMS to give 289 as a white solid (109 mg; 36%). δH (400 MHz, CDCl3) 3.13 (t, J=5.2, 2H), 4.29 (t, J=5.2, 2H), 6.89-6.93 (m, 2H), 7.24-7.28 (m, 1H), 7.62-7.67 (m, 2H), 7.80-7.83 (m, 1H), 7.98 (s, 1H), 8.26 (s, 1H). [M+H]+: 527

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS07928248B2
Source datasetuspto-grants-2011_04
ORD IDord-c97f8f1a7f7445ff812c0d268df05a68
Source noteuspto-grants-2011_04