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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1918186Generated: November 3, 2026

3-(6,7-Dimethoxyquinazolin-4-ylthio)aniline → 1-(3-(2-Cyanopropan-2-yl)isoxazol-5-yl)-3-(3-(6,7-dimethoxyquinazolin-4-ylthio)phenyl)urea

https://huagongshe.com/reaction/1918186

Reaction equation

Participants

RoleNameHCIDCharge
Reactant3-(6,7-Dimethoxyquinazolin-4-ylthio)anilineHCID 56953627—
ReactantPhenyl 3-(2-cyanopropan-2-yl)isoxazol-5-ylcarbamateHCID 66877010—
SolventTetrahydrofuranHCID 8028—
Product1-(3-(2-Cyanopropan-2-yl)isoxazol-5-yl)-3-(3-(6,7-dimethoxyquinazolin-4-ylthio)phenyl)ureaHCID 5826782432%

Reaction Steps

A mixture of phenyl 3-(2-cyanopropan-2-yl)isoxazol-5-ylcarbamate (prepared as described in Example 125A steps 1 through 3) (95 mg, 0.35 mmol), 3-(6,7-dimethoxyquinazolin-4-ylthio)aniline (prepared as described in Example 115B) (100 mg, 0.319 mmol) and N,N-4-(dimethylamino)pyridine (10 mg, 0.082 mmol) in THF (5 mL) was stirred at rt for 15 h. The reaction mixture was concentrated under reduced pressure to give the crude product which was partitioned between dichloromethane (10 mL) and water (10 mL). The organic layer was separated and dried over magnesium sulfate. Concentration under reduced pressure gave a solid which was triturated with methanol to afford 1-(3-(2-cyanopropan-2-yl)isoxazol-5-yl)-3-(3-(6,7-dimethoxyquinazolin-4-ylthio)phenyl)urea (50 mg, 32%) as a colorless solid. 1H NMR (300 MHz, DMSO-d6) δ 10.52 (brs, 1H), 9.14 (brs, 1H), 8.70 (s, 1H), 7.86 (s, 1H), 7.57 (m, 1H), 7.46 (m, 1H), 7.30-7.36 (m, 3H), 6.28 (s, 1H), 3.99 (s, 6H), 1.68 (s, 6H); LC-MS (ESI) m/z 491 (M+H)+.

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS08618289B2
Source datasetuspto-grants-2013_12
ORD IDord-5cf42db18cb544f8b1de585a072181c0
Source noteuspto-grants-2013_12