HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 532853Generated: October 29, 2026
Ethyl Acetate → 4-(6-Isopropyl-quinolin-8-yl)[1,4]-diazepan-1-carboxylic acid tert-butyl ester
https://huagongshe.com/reaction/532853
Participants
| Role | Name | HCID | Charge |
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| Reactant | Ethyl Acetate | HCID 8857 | — |
| Reactant | Tert-butyl 1,4-diazepane-1-carboxylate | HCID 2756058 | — |
| Reactant | 8-Bromo-6-(propan-2-yl)quinoline | HCID 21865555 | — |
| Reactant | Potassium tert-butoxide | HCID 23665647 | — |
| Solvent | 1,2-Dimethoxyethane | HCID 8071 | — |
| Product | 4-(6-Isopropyl-quinolin-8-yl)[1,4]-diazepan-1-carboxylic acid tert-butyl ester | HCID 59366163 | 66.5% |
Reaction Steps
A mixture of 8-Bromo-6-isopropyl-quinoline (1.38 g, 5.51 mmol, 1.04 equiv) and 1-(tert-butoxycarbonyl)homopiperazine (1.06 g, 1.0 equiv) in 5.5 mL of DME was degassed with compressed nitrogen gas for 5 minutes. To the mixture was added t-BuOK (0.83 g, 1.4 equiv). After degassing for another 2 minutes, allylchloro[1,3-(2,6-di-isopropylphenyl)imidazol-2-ylidene]palladium (II) (Nolan's catalyst, 61 mg, 0.02 equiv) was added and the resulting mixture was heated to 60° C. overnight, then cooled down to room temperature. EtOAc (˜70 mL) was added and the mixture was filtered through celite. The filtrate was washed with saturated aqueous NaHCO3 (70 mL) and brine (70 mL), dried over magnesium sulfate and concentrated. The residue was purified by silica gel chromatography using 5% to 20% EtOAc in hexane to afford the title compound (1.3 g, 64%). MS (ES) m/z 370.2 (M+H+).
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| Patent number | US08853202B2 |
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| Source dataset | uspto-grants-2014_10 |
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| ORD ID | ord-3a7ddb2ffea54829b6af326d3bef80e8 |
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| Source note | uspto-grants-2014_10 |
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