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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1485346Generated: October 31, 2026

4-Tert-Butylaniline → HCID 58972642, compound

https://huagongshe.com/reaction/1485346

Reaction equation

Participants

RoleNameHCIDCharge
Reactant4-Tert-ButylanilineHCID 69861—
ReactantHCID 86615307HCID 86615307—
Solvent1-ButanolHCID 263—
SolventMethanolHCID 887—
ProductHCID 58972642HCID 5897264299%

Reaction Conditions

Temperature180 °C

Reaction Steps

To a solution of 4-chloro-2-morpholin-4-yl-7-(3-trifluoromethyl-pyridin-2-yl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine (30 mg, 0.08 mmol) in n-BuOH (2 mL) was added 4-tert-butylaniline (23 μL, 0.15 mmol). The mixture was heated in the microwave at 180° C. for 90 min, then was cooled to rt, diluted with MeOH, and filtered through quaternary amine resin, carbonate form (500 mg). The filtrate was concentrated and the residue was purified (FCC) to give the title compound (39 mg, 99%). MS (ESI): mass calcd. for C28H33F3N6O, 526.27; m/z found, 527.2 [M+H]+. 1H NMR (CDCl3): 8.40-8.37 (m, 1H), 7.87 (d, J=1.8 Hz, 1H), 7.48-7.43 (m, 2H), 7.37-7.31 (m, 2H), 6.96-6.89 (m, 1H), 6.35 (s, 1H), 3.80-3.70 (m, 8H), 3.64-3.54 (m, 4H), 3.11-3.04 (m, 2H), 2.88-2.82 (m, 2H), 1.33 (s, 9H).

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS09422293B2
Source datasetuspto-grants-2016_08
ORD IDord-962598f0d2f344149ea095cb284bef86
Source noteuspto-grants-2016_08