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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 33303Generated: October 29, 2026

Lawesson's reagent → 2-Phenyl-1,3,4,5-tetrahydro-azepino[5,4,3-cd]indole-6-thione

https://huagongshe.com/reaction/33303

Reaction equation

Participants

RoleNameHCIDCharge
ReactantLawesson's reagentHCID 87949—
Reactant2-Phenyl-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-9-oneHCID 10220882—
SolventWaterHCID 962—
SolventTolueneHCID 1140—
Product2-Phenyl-1,3,4,5-tetrahydro-azepino[5,4,3-cd]indole-6-thioneHCID 1183275268.7%

Reaction Steps

Compound 12 (48.6 mg, 0.18 mmol) in toluene (2 mL) was treated with Lawesson's reagent (75 mg, 0.18 mmol) at room temperature. The solution was heated at reflux for 2 h, then allowed to cool to room temperature and diluted with water. The mixture was extracted with EtOAc (3×5 mL). The organic solution was washed with water and brine, dried (Na2SO4), filtered, and concentrated. The crude product was crystallized (CH2Cl2/hexanes) to give the thioamide 34.4 mg (68%) as a yellow solid. mp 223-226° C. (dec.); 1H NMR (300 MHz, d6-DMSO) δ 3.10 (m, 2H), 3.50 (m, 2H), 7.23 (app t, 1H, J=7.8 Hz), 7.57 (m, 1H), 7.61 (m, 3H), 7.69 (m, 2H), 8.19 (d, 1H, J=7.6 Hz), 10.56 (br t, 1H), 11.68 (br s, 1H); HRMS (FAB, MH+) Calcd for C17H15N2S: 279.0956, Found: 279.0952; Anal. (C17H14N2S.0.25 H2O) C, H, N, S.

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS07429578B2
Source datasetuspto-grants-2008_09
ORD IDord-271cba7b619d4235bcc091d413e25b7f
Source noteuspto-grants-2008_09