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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 552939Generated: October 29, 2026

Acetic Acid → N-Methyl-4-(5-nitro-1H-indol-3-yl)cyclohex-3-enamine

https://huagongshe.com/reaction/552939

Reaction equation

Participants

RoleNameHCIDCharge
ReactantAcetic AcidHCID 176—
ReactantSodium HydroxideHCID 14798—
ReactantMethylamine hydrochlorideHCID 6364545—
Reactant4-(5-nitro-1H-indol-3-yl)cyclohex-3-en-1-oneHCID 57384538—
Solvent1,2-DichloroethaneHCID 11—
ProductN-Methyl-4-(5-nitro-1H-indol-3-yl)cyclohex-3-enamineHCID 5738453999.9%

Reaction Steps

A solution of compound 79 (0.07 g, 0.273 mmol) in 1,2-dichloroethane (3 mL) was treated with AcOH (0.015 mL, 0.273 mmol), methylamine hydrochloride (0.018 g, 0.273 mmol), NaBH(OAC)3 (0.086 g, 0.409 mmol) at room temperature and stirred for over night (14 h). The reaction was basified with 2 N NaOH (25 mL) and product was extracted into ethyl acetate (2×20 mL). The combined ethyl acetate layer was washed with brine (15 mL) and dried (Na2SO4). Solvent was evaporated and crude was purified by column chromatography (2 M NH3 in methanol: CH2Cl2, 1:9) to obtain compound 80 (0.074 g, quantitative) as a solid. mp 208-210° C.; 1H NMR (DMSO-d6) δ 1.44-1.53 (m, 1H), 1.97-2.01 (m, 2H), 2.35 (s, 3H), 2.40-2.57 (m, 3H), 2.60-2.70 (m, 1H), 6.13 (brs, 1H), 7.54 (d, 1H, J=9.0 Hz), 7.63 (s, 1H), 8.00 (d, 1H, J=7.5 Hz), 8.67 (s, 1H), 11.85 (brs, 1H); ESI-MS m/z (%): 272 (M+, 100).

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS07951940B2
Source datasetuspto-grants-2011_05
ORD IDord-de1405e9159f4cd58bfcaedee3a67ce9
Source noteuspto-grants-2011_05