HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1071145Generated: October 27, 2026
Ethylene Glycol → 10-[2-(Trifluoromethoxy)phenyl]-1,2,3,4,5,6-hexahydroazepino[4,5-b]indole
https://huagongshe.com/reaction/1071145
Participants
| Role | Name | HCID | Charge |
|---|
| Reactant | Ethylene Glycol | HCID 174 | — |
| Reactant | Ethyl Acetate | HCID 8857 | — |
| Reactant | Potassium Hydroxide | HCID 14797 | — |
| Reactant | 3-Benzoyl-10-[2-(trifluoromethoxy)phenyl]-1,2,3,4,5,6-hexahydroazepino[4,5-b]indole | HCID 22396567 | — |
| Solvent | Water | HCID 962 | — |
| Product | 10-[2-(Trifluoromethoxy)phenyl]-1,2,3,4,5,6-hexahydroazepino[4,5-b]indole | HCID 22396582 | 69% |
Reaction Steps
3-Benzoyl-10-[2-(trifluoromethoxy)phenyl]-1,2,3,4,5,6-hexahydroazepino[4,5-b]indole (1.55 g, 3.44 mmol) and ethylene glycol (50 mL) were combined and heated to 170° C. KOH (3.91 g, 69.7 mmol) was added and the reaction mixture was stirred at 170° C. for 1.5 h. The reaction mixture was cooled to rt and was combined with EtOAc (100 mL) and H2O (300 mL). The layers were separated and the aqueous layer was extracted with EtOAc (2×100 mL). The combined organic layers were dried over MgSO4, filtered and concentrated to give crude product (5.22 g). The crude product was chromatographed (SiO2 100 g, eluted with 90:10:1 CH2Cl2:CH3OH:conc. NH4OH) to give 10-[2-(trifluoromethoxy)phenyl]-1,2,3,4,5,6-hexahydroazepino[4,5-b]indole (0.82 g) in 69% yield. 1H NMR (400 MHz, CD3OD) δ 2.24-2.36, 2.70-2.76, 2.95-3.03, 6.75, 7.06, 7.30, 7.36-7.42, 7.46-7.51; MS (ESI+) for C19H17F3N2O m/z 347.2 (M+H)+.
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| Patent number | US06903090B2 |
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| Source dataset | uspto-grants-2005_06 |
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| ORD ID | ord-2e56a3a5b49a4980a5c224f0e5f6ecd4 |
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| Source note | uspto-grants-2005_06 |
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