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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 267798Generated: October 31, 2026

Hydrochloric Acid → 3-hydroxy-3-isopropylaminomethyl-7-nitro-3,4-dihydro-2H-1,5-benzodioxepin

https://huagongshe.com/reaction/267798

Reaction equation

Participants

RoleNameHCIDCharge
ReactantHydrochloric AcidHCID 313—
ReactantPotassium HydroxideHCID 14797—
ReactantSodium HydroxideHCID 14798—
Reactant3'-isopropyl-7-nitro-3,4-dihydro-2H-1,5-benzodioxepin-3-spiro-5'-oxazolidin-2'-oneHCID 15557327—
SolventWaterHCID 962—
SolventDiethyl EtherHCID 3283—
Solvent1,4-DioxaneHCID 31275—
Product3-hydroxy-3-isopropylaminomethyl-7-nitro-3,4-dihydro-2H-1,5-benzodioxepinHCID 15557330—

Reaction Steps

A mixture of 3'-isopropyl-7-nitro-3,4-dihydro-2H-1,5-benzodioxepin-3-spiro-5'-oxazolidin-2'-one (7.98 g.; 25.9 mmole), dioxane (60 ml. and 45% aqueous potassium hydroxide solution (16 ml.) in a nitrogen-filled steel pressure-vessel is heated in a rocking-furnace at 150°-160° C. for 16 hours. The reaction mixture then is poured into ether (100 ml.) and the organic layer separated. The aqueous solution is extracted with ether (100 ml.) and the combined ethereal solution is washed twice with saturated sodium chloride solution (2 × 100 ml.) and then with water (100 ml.). The ethereal solution is extracted with 2.75N hydrochloric acid (40 ml.; 0.11 mole) and twice with water (2 × 40 ml.). The combined acid and aqueous extracts is basified with 2.5N sodium hydroxide solution (70 ml.; 0.175 mole) and the liberated base extracted with ether (2 × 100 ml.). After drying the ethereal solution over anhydrous magnesium sulfate and then over calcium sulfate mixed with a little charcoal, it is evaporated to an oil that soon crystallizes providing 3-hydroxy-3-isopropylaminomethyl-7-nitro-3,4-dihydro-2H-1,5-benzodioxepin as a bright yellow solid, yield 6.33 g., (86.7%), m.p. 95-96.5` C. Recrystallization from di-isopropyl ether (63 ml.) affords 4.56 g., (62.4%) of product, m.p. 97.5°-99° C.

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS03944560
Source datasetuspto-grants-1976_03
ORD IDord-479f181eeb654744bccd3131729f4339
Source noteuspto-grants-1976_03