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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1040879Generated: November 1, 2026

Methanol → 5,5-Dimethyl-7-nitro-2,3,4,5-tetrahydro-1H-benzo[b]azepine

https://huagongshe.com/reaction/1040879

Reaction equation

Participants

RoleNameHCIDCharge
ReactantMethanolHCID 887—
Reactant5,5-Dimethyl-7-nitro-1,3,4,5-tetrahydro-benzo[b]azepin-2-oneHCID 57853838—
SolventTetrahydrofuranHCID 8028—
Product5,5-Dimethyl-7-nitro-2,3,4,5-tetrahydro-1H-benzo[b]azepineHCID 5785380572%

Reaction Steps

Combined 5,5-Dimethyl-7-nitro-1,3,4,5-tetrahydrobenzo[b]azepin-2-one (89 mg, 0.38 mmol), Borane-THF complex, 1M in THF (1.9 mL, 1.9 mmol) and 3 mL anhydrous THF. Heated reaction to reflux for 1 hour. Let reaction cool to room temperature, added methanol and concentrated under reduced pressure. Dissolved residue in methylene chloride and washed with saturated sodium bicarbonate solution. Purified with normal phase chromatography eluting with 10% ethyl acetate in hexane to yield a yellow solid, 5,5-Dimethyl-7-nitro-2,3,4,5-tetrahydro-1H-benzo[b]azepine (60 mg, 72%). mp 99° C.; LCMS: m/z=221.06 (M+H+), 1H NMR (400 MHz, CDCl3) δ 8.26 (d, 1H, J=2.3 Hz), 7.91 (dd, 1H, J=8.6, 2.5 Hz), 6.68 (d, 1H, J=8.8 Hz), 4.28 (br s, 1H), 3.16 (m, 2H), 1.91 (m, 2H), 1.72 (m, 2H), 1.41 (s, 6H).

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS08552186B2
Source datasetuspto-grants-2013_10
ORD IDord-337fc51db9144817affbcf55b3aa4062
Source noteuspto-grants-2013_10