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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1619362Generated: November 1, 2026

Trifluoroacetic acid → HCID 58574313, compound

https://huagongshe.com/reaction/1619362

Reaction equation

Participants

RoleNameHCIDCharge
ReactantTrifluoroacetic acidHCID 6422—
ReactantHCID 58574259HCID 58574259—
SolventDichloromethaneHCID 6344—
ProductHCID 58574313HCID 58574313—

Reaction Steps

To a solution of tert-butyl-8-(2-(3-fluorophenyl)ethynyl)-11-oxo-1,2,4,5-tetrahydro-[1,4]diazepino[7,1-b]quinazoline-3(11H)-carboxylate (1.3 g, 3.0 mmol) in DCM (30 mL) was added trifluoroacetic acid (15 mL). The mixture was stirred for 1 h at room temperature. Then the reaction mixture was concentrated and purified by silica gel chromatography to give the desired product. MS (ESI): 334 (MH+); 1H NMR (300 MHz, CDCl3) δ 8.26-8.23 (d, J=8.2 Hz, 1H), 7.77 (s, 1H), 7.59-7.55 (d, J=8.3 Hz, 1.5 Hz, 1H), 7.38-7.34 (m, 2H), 7.29-7.26 (m, 1H), 7.14-7.09 (m, 1H), 4.53-4.50 (t, J=3.6 Hz, 2H), 3.24-3.17 (m, 4H), 3.11-3.10 (t, J=4.5 Hz, 2H). mGluR5 PAM EC50: ++.

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS08772301B2
Source datasetuspto-grants-2014_07
ORD IDord-a3146aa7c5b542e9a8a02c50c6322eee
Source noteuspto-grants-2014_07