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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1478659Generated: November 3, 2026

Fumaric Acid → HCID 131728949, compound

https://huagongshe.com/reaction/1478659

Reaction equation

Participants

RoleNameHCIDCharge
ReactantFumaric AcidHCID 444972—
ReactantHCID 66964783HCID 66964783—
SolventEthanolHCID 702—
SolventMethanolHCID 887—
ProductHCID 131728949HCID 13172894967.2%

Reaction Steps

To a solution of 8-methoxy-2-methyl-5-phenyl-2,3,4,5-tetrahydro-1H-benzo[c]azepine from step B (260 mg, 0.97 mmol) in ethanol (4 mL) was added fumaric acid (123 mg, 0.97 mmol) in methanol (2 mL). The solvent was removed under reduced pressure. The residue was triturated with ethyl acetate and diethyl ether. The resulting precipitate was collected by filtration, washed with diethyl ether, and dried at 50° C. under vacuum to provide (+/−)-8-methoxy-2-methyl-5-phenyl-2,3,4,5-tetrahydro-1H-benzo[c]azepine, fumarate salt (250 mg, 67%, >99% AUC HPLC) as an off-white solid: mp 171-173° C.; 1H NMR (CD3OD, 500 MHz) δ 7.38 (t, J=7.5 Hz, 2H), 7.29 (t, J=7.4 Hz, 1H), 7.18 (d, J=7.5 Hz, 2H), 7.02 (d, J=2.7 Hz, 1H), 6.86-6.78 (m, 2H), 6.67 (s, 2H), 4.50 (dd, J=8.9, 1.9 Hz, 2H), 4.25 (d, J=13.9 Hz, 1H), 3.80 (s, 3H), 3.52-3.51 (m, 2H), 2.85 (s, 3H), 2.57-2.56 (m, 1H), 2.40-2.36 (m, 1H); ESI MS m/z=268 [C18H21NO+H]+.

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS09403776B2
Source datasetuspto-grants-2016_08
ORD IDord-90dd68ecc65c4b2e81f91997bf3d8e6d
Source noteuspto-grants-2016_08