HuagongsheHuagongshe Chemistry Print Report · For research reference only
Tert-butyl 1,4-diazepane-1-carboxylate → tert-butyl 4-(4-nitro-1-(2,2,2-trifluoroethyl)-1H-pyrazol-5-yl)-1,4-diazepane-1-carboxylate
Participants
| Role | Name | HCID | Charge |
|---|---|---|---|
| Reactant | Tert-butyl 1,4-diazepane-1-carboxylate | HCID 2756058 | — |
| Reactant | 5-bromo-4-nitro-1-(2,2,2-trifluoroethyl)-1H-pyrazole | HCID 56973321 | — |
| Product | tert-butyl 4-(4-nitro-1-(2,2,2-trifluoroethyl)-1H-pyrazol-5-yl)-1,4-diazepane-1-carboxylate | HCID 86679993 | 91% |
Reaction Steps
Following the procedure for Intermediate 22 starting from 5-bromo-4-nitro-1-(2,2,2-trifluoroethyl)-1H-pyrazole and tert-butyl 1,4-diazepane-1-carboxylate gave tert-butyl 4-(4-nitro-1-(2,2,2-trifluoroethyl)-1H-pyrazol-5-yl)-1,4-diazepane-1-carboxylate as a pale yellow gum (197 mg, 91%). 1H NMR (400 MHz, CDCl3) δ 8.19-8.12 (m, 1H), 4.76-4.66 (m, 2H), 3.65-3.49 (m, 4H), 3.32-3.23 (m, 4H), 1.92-1.78 (m, 2H), 1.52-1.47 (m, 9H).
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
|---|---|
| Patent number | US08614206B2 |
| Source dataset | uspto-grants-2013_12 |
| ORD ID | ord-c6fd60db6aff4842888dd4616f5a1d65 |
| Source note | uspto-grants-2013_12 |