8-methoxy-3,4-dihydrobenzo[b]oxepin-5(2H)-one Chemical Properties

Boiling point:

140 °C(Press: 0.6 Torr)

Density 

1.161±0.06 g/cm3(Predicted)

storage temp. 

Inert atmosphere,Room Temperature

Appearance

Yellow to brown Liquid

Safety Information

HS Code 

2932990090

8-methoxy-3,4-dihydrobenzo[b]oxepin-5(2H)-one Usage And Synthesis

Synthesis

General procedure for the synthesis of 8-methoxy-3,4-dihydrobenzo[b]oxepin-5(2H)-one from 3-methoxyphenoxybutyric acid: a chlorobenzene solution of polyphosphoric acid (PPA) was slowly added to compound Int-19d (22 g, 0.1 mol) at 80 °C and the reaction mixture was kept stirred continuously at 80 °C for about 15 hours. After completion of the reaction, the solvent was removed and the residue was dissolved in ethyl acetate and washed sequentially with 1N aqueous sodium hydroxide and saturated saline. The organic layer was dried over anhydrous sodium sulfate, filtered and concentrated under reduced pressure to afford the target compound Int-19e (14 g, 73% yield). The product was characterized by 1H NMR (CDCl3) with chemical shifts δ: 7.74 (d, J = 8Hz, 1H), 6.63 (d, J = 8Hz, 1H), 6.53 (s, 1H), 4.21 (t, J = 12Hz, 2H), 3.80 (s, 3H), 2.84 (t, J = 16Hz, 2H), 2.18-2.15 (m, 2H ).

References

[1] Patent: WO2012/50848, 2012, A1. Location in patent: Page/Page column 109-110
[2] Bioorganic and Medicinal Chemistry, 2003, vol. 11, # 23, p. 5025 - 5033
[3] Bioorganic and Medicinal Chemistry, 2008, vol. 16, # 21, p. 9554 - 9573
[4] Justus Liebigs Annalen der Chemie, 1954, vol. 587, p. 38,47
[5] Synthetic Communications, 2009, vol. 39, # 15, p. 2664 - 2673

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