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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1687936Generated: November 2, 2026

Water → 4-Benzyl-7-methoxy-1,3,4,5-tetrahydro-benzo[e][1,4]diazepin-2-one

https://huagongshe.com/reaction/1687936

Reaction equation

Participants

RoleNameHCIDCharge
ReactantWaterHCID 962—
ReactantSodium HydroxideHCID 14798—
ReactantSodium AzideHCID 33557—
ReactantN-benzyl-7-methoxy-1,2-dihydroisoquinolin-4(3H)-oneHCID 13760255—
SolventMethanesulfonic AcidHCID 6395—
Product4-Benzyl-7-methoxy-1,3,4,5-tetrahydro-benzo[e][1,4]diazepin-2-oneHCID 5785389773%

Reaction Conditions

Temperature65 °C

Reaction Steps

To a solution of 2-benzyl-7-methoxy-2,3-dihydro-1H-isoquinolin-4-one (7.0 g, 26.2 mmol) in methanesulfonic acid (50 mL) was added sodium azide (3.4 g, 52.4 mmol) portionwise with stirring (Caution: mild exotherm, gas evolution). The mixture was heated to 65° C. for two hours before being cooled to ambient temperature. Water (100 mL) was added, the mixture was cooled in an ice-water bath, and the pH was adjusted to 7-8 (10N NaOH). The gummy precipitate was extracted (DCM), the organic phase was washed with brine, dried over magnesium sulfate, filtered and concentrated. Further purification by flash chromatography over silica gel (DCM/MeOH) gave 4-benzyl-7-methoxy-1,3,4,5-tetrahydro-benzo[e][1,4]diazepin-2-one (5.4 g, 73%) as a tan solid; 1H NMR (400 MHz, DMSO-d6) δ 9.80 (s, 1H), 7.33 (m, 5H), 6.97 (d, J=8 Hz, 1H), 6.87 (d, J=8 Hz, 1H), 6.82 (s, 1H), 3.73 (s, 3H), 3.67 (s, 4H), 3.09 (s, 2H); MS (m/e) 283 (M+1); mp 134° C.

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS08148391B2
Source datasetuspto-grants-2012_04
ORD IDord-08e62f45a1f94d408e64d4556da233e1
Source noteuspto-grants-2012_04