HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1485346Generated: October 31, 2026
4-Tert-Butylaniline → HCID 58972642, compound
https://huagongshe.com/reaction/1485346
Participants
| Role | Name | HCID | Charge |
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| Reactant | 4-Tert-Butylaniline | HCID 69861 | — |
| Reactant | HCID 86615307 | HCID 86615307 | — |
| Solvent | 1-Butanol | HCID 263 | — |
| Solvent | Methanol | HCID 887 | — |
| Product | HCID 58972642 | HCID 58972642 | 99% |
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
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| Patent number | US09422293B2 |
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| Source dataset | uspto-grants-2016_08 |
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| ORD ID | ord-962598f0d2f344149ea095cb284bef86 |
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| Source note | uspto-grants-2016_08 |
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