3,6-DICHLORO-1,2-BENZISOXAZOLE
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3,6-DICHLORO-1,2-BENZISOXAZOLE
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CAS No:
16263-54-0
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Formula:
C7H3Cl2NO
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Chemical Name:
3,6-DICHLORO-1,2-BENZISOXAZOLE
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Synonyms:
3,6-DICHLORO-1,2-BENZISOXAZOLE;3,6-Dichlorobenzo[d]isoxazole
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CAS No:
3,6-DICHLORO-1,2-BENZISOXAZOLE Use and Manufacturing
4)3-hydroxy-6-chlorobenzisoxazole (6 g, 35 mmol), 20 ml of phosphoryl chloride, 1 ml of Et3N were placed in a microwave reactor and reacted at 150 ° C. for 0.5 h, phosphoryl chloride was distilled off, Was diluted with 20 ml of dichloromethane, 20 g of an ice water mixture was added, the organic phase was separated, the aqueous phase was subsequently extracted with 20 ml * 2 of dichloromethane, the dichloromethane layer was combined, washed with 20 ml of saturated brine , Dried over anhydrous MgSO 4, evaporated to dryness, separated by alumina (200-300 mesh) column chromatography and eluted with dichloromethane: methanol = 200: 1 to give 5.2 g of 3, 6-dichlorobenzisoxazole. Yield is 79percent.4) Preparation of 3-hydroxy-6-chlorobenzisoxazole (6 g, 35 mmol), 20 ml of phosphoryl chloride, 1 ml of Et3N were placed in a microwave reactor and reacted at 150 C. for 0.5 h, phosphoryl chloride was distilled off, Was diluted with 20 ml of dichloromethane, 20 g of an ice water mixture was added, the organic phase was separated, the aqueous phase was subsequently extracted with 20 ml * 2 of dichloromethane, the dichloromethane layer was combined, washed with 20 ml of saturated brine , Dried over anhydrous MgSO 4, evaporated to dryness, separated by alumina (200-300 mesh) column chromatography and eluted with dichloromethane: methanol = 200: 1 to give 5.2 g of
Computed Properties
Molecular Weight:188.01
XLogP3:3.3
Hydrogen Bond Acceptor Count:2
Exact Mass:186.9591691
Monoisotopic Mass:186.9591691
Topological Polar Surface Area:26
Heavy Atom Count:11
Complexity:155
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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