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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1915781Generated: November 2, 2026

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

https://huagongshe.com/reaction/1915781

Reaction equation

Participants

RoleNameHCIDCharge
ReactantTert-butyl 1,4-diazepane-1-carboxylateHCID 2756058—
Reactant5-bromo-4-nitro-1-(2,2,2-trifluoroethyl)-1H-pyrazoleHCID 56973321—
Producttert-butyl 4-(4-nitro-1-(2,2,2-trifluoroethyl)-1H-pyrazol-5-yl)-1,4-diazepane-1-carboxylateHCID 8667999391%

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

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS08614206B2
Source datasetuspto-grants-2013_12
ORD IDord-c6fd60db6aff4842888dd4616f5a1d65
Source noteuspto-grants-2013_12