cas 89793-82-8, 3-AMINO-5-NITRO-1,2-BENZISOXAZOLE

A microwave-assisted, fluorous synthetic route to 3-amino-1,2- benzisoxazoles and 4-amino-1H-2,3-benzoxazines has been developed. The strategy comprises linking the respective 2-fluorobenzonitrile or 2-(bromomethyl) benzonitrile to a fluorous oxime tag to give an aryloxime intermediate which then undergoes cyclization with concomitant cleavage of the substrate-tag in acidic conditions to provide the desired product in good to moderate yields. In addition, the aryloxime intermediate could be subjected to further reactions to expand the compound library. The product could be easily separated using fluorous solid-phase extraction (F-SPE) and the fluorous ketone recovered could be converted back to the fluorous oxime and reused in the next run of the synthesis.

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Chemical Properties

Melting Point: 208 °C

Boiling Point: 421.248oC at 760 mmHg

Flash Point:208.564oC

Density: 1.576g/cm3

Storage Temp.:2-8°C(protect from light)

Vapor Pressure: 0mmHg at 25°C

PKA: -1.23±0.30(Predicted)

PSA: 97.87000

LogP: 2.42260

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