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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 241172Generated: November 1, 2026

HCID 49839597, compound → HCID 57389342, compound

https://huagongshe.com/reaction/241172

Reaction equation

Participants

RoleNameHCIDCharge
ReactantHCID 49839597HCID 49839597—
SolventTrifluoroacetic acidHCID 6422—
ProductHCID 57389342HCID 57389342—

Reaction Steps

A solution of 7-(2-methyl-1H-benzimidazol-6-yl)-4-{6-[(phenylmethyl)oxy]quinazolin-4-yl}-2,3,4,5-tetrahydro-1,4-benzoxazepine (example 1) (26 mg, 0.05 mmol) in trifluoroacetic acid (3.0 mL) was heated to 68° C. for 3.5 hours then concentrated and dried. This material was then carried forward into step 2 without further purification. A sample of material obtained in this manner was purified by preparative reverse phase HPLC to give 4-[7-(2-methyl-1H-benzimidazol-6-yl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]quinazolin-6-ol. 1H NMR (400 MHz, d6-DMSO): 10.1 (s, 1H), 8.44 (s, 1H), 7.73 (d, 1H), 7.70 (d, 1H), 7.65 (d, 1H), 7.55-7.51 (m, 2H), 7.48 (d, 0.5H), 7.46 (d, 0.5H), 7.40 (dd, 1H), 7.33 (d, 1H), 7.04 (d, 1H), 5.00 (s, 2H), 4.46 (t, 2H), 4.24 (t, 2H), 2.54 (s, 3H). MS (EI) for C25H22N5O2: 424 (MH+).

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS08648066B2
Source datasetuspto-grants-2014_02
ORD IDord-5a76aae923fc4edcb224ba66fbe602a8
Source noteuspto-grants-2014_02