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
Participants
| Role | Name | HCID | Charge |
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| Reactant | Acetic Acid | HCID 176 | — |
| Reactant | Sodium Hydroxide | HCID 14798 | — |
| Reactant | Methylamine hydrochloride | HCID 6364545 | — |
| Reactant | 4-(5-nitro-1H-indol-3-yl)cyclohex-3-en-1-one | HCID 57384538 | — |
| Solvent | 1,2-Dichloroethane | HCID 11 | — |
| Product | N-Methyl-4-(5-nitro-1H-indol-3-yl)cyclohex-3-enamine | HCID 57384539 | 99.9% |
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
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| Patent number | US07951940B2 |
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| Source dataset | uspto-grants-2011_05 |
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| ORD ID | ord-de1405e9159f4cd58bfcaedee3a67ce9 |
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| Source note | uspto-grants-2011_05 |
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