HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 532959Generated: October 30, 2026
Ammonium Chloride → 9-(Tert-butyl)-3,4,7,8-tetrahydro-[1,4]diazepino[7,1-a]isoquinoline-2,5-dione
https://huagongshe.com/reaction/532959
Participants
| Role | Name | HCID | Charge |
|---|
| Reactant | Ammonium Chloride | HCID 25517 | — |
| Reactant | 9-Bromo-3,4,7,8-tetrahydro-[1,4]diazepino[7,1-a]isoquinoline-2,5-dione | HCID 86711328 | — |
| Reactant | Dicyclohexylimidazolium tetrafluoroborate | HCID 89621986 | — |
| Reactant | HCID 178418310 | HCID 178418310 | — |
| Catalyst | Nickel Dichloride | HCID 24385 | — |
| Solvent | Tetrahydrofuran | HCID 8028 | — |
| Product | 9-(Tert-butyl)-3,4,7,8-tetrahydro-[1,4]diazepino[7,1-a]isoquinoline-2,5-dione | HCID 86711402 | 50% |
Reaction Steps
125-1. A mixture of 9-bromo-3,4,7,8-tetrahydro-[1,4]diazepino[7,1-a]isoquinoline-2,5-dione (2.0 g, 6.51 mmol), NiCl2*2H2O (0.43 g, 2.60 mmol) and dicyclohexylimidazolium tetrafluoroborate (0.83 g, 2.60 mmol) in THF (80 mL) was cooled to −20° C. and then treated with a 1M solution of tBuMgCl (39.0 mL, 39.0 mmol) dropwise. The mixture was allowed to slowly warm to RT, then poured onto a saturated aq. solution of NH4Cl and extracted with AcOEt. The combined org. layers were then dried over Na2SO4, filtered and concentrated in vacuo. Purification by flash chromatography (SiO2, heptane to AcOEt to AcOEt/MeOH 95:5) afforded the title compound (370 mg). UPLC-MS: MS 285.2 (M+H+); UPLC rt 0.91 min.
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| Patent number | US08853203B2 |
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| Source dataset | uspto-grants-2014_10 |
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| ORD ID | ord-28b5aee625c14fce8c1b552b8c8cc002 |
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| Source note | uspto-grants-2014_10 |
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