75914-61-3

Basic information

• Product Name: 3-(1,1-DIMETHYLETHYL)-5(4H)-ISOXAZOLONE
• Synonyms: 3-(1,1-DIMETHYLETHYL)-5(4H)-ISOXAZOLONE
• CAS NO: 75914-61-3
• Molecular Formula: C₇H₁₁NO₂
• Molecular Weight: 0
• Mol File: 75914-61-3.mol
• Article Data: 4

Chemical Properties

• Appearance: /
• CAS DataBase Reference: 3-(1,1-DIMETHYLETHYL)-5(4H)-ISOXAZOLONE(CAS DataBase Reference)
• NIST Chemistry Reference: 3-(1,1-DIMETHYLETHYL)-5(4H)-ISOXAZOLONE(75914-61-3)
• EPA Substance Registry System: 3-(1,1-DIMETHYLETHYL)-5(4H)-ISOXAZOLONE(75914-61-3)

Safety Data

• Hazardous Substances Data: 75914-61-3(Hazardous Substances Data)

Upstream product

• 59669-59-9 5-amino-3-tert-butylisoxazole 
• 121449-41-0 4,4,-dimethyl-3-oxopentaneamidoxime 
• 17094-34-7 ethyl pivaloylacetate 
• 59997-51-2 trimethylacetylacetonitrile 
• 136320-07-5 N-(3-tert-butylisoxazol-5-yl)-5-tert-butyl-3-aminoisoxazole 
• 55107-14-7 Methyl 4,4-dimethyl-3-oxopentanoate 

Downstream Products

• 108471-53-0 3-(tert-butyl)-5-chloroisoxazole-4-carbaldehyde 
• 108471-46-1 3-tert-Butyl-4-[1-dimethylamino-meth-(Z)-ylidene]-4H-isoxazol-5-one 
• 108510-34-5 4-tert-Butyl-2-dimethylamino-6-oxo-6H-[1,3]oxazine-5-carbaldehyde 
• 120621-51-4 4-Benzyl-3-tert-butyl-4H-isoxazol-5-one 

Relevant articles and documents

Suzuki-Miyaura cross-coupling of 3,4-disubstituted 5-bromoisoxazoles: An efficient access to trisubstituted isoxazoles

The Suzuki-Miyaura cross-coupling of 3,4-disubstituted 5-bromoisoxazoles 1 at the C5 position has successfully proceeded in the presence of Pd2(dba)3 and P(t-Bu)3·HBF4 catalysts to give the corresponding trisubstituted isoxazoles 3 in good to high yields while suppressing the formation of ketone 4 as a byproduct. The use of bulky phosphine ligand P(t-Bu)3·HBF4 is essential for the current transformation, and the formation of ketone 4, which was a major product in the previous report, was able to be suppressed under the current conditions.

PRACTICAL SYNTHESIS OF 3-AMINO-5-tert-BUTYLISOXAZOLE FROM 4,4-DIMETHYL-3-OXOPENTANENITRILE WITH HYDROXYLAMINE

A good yield of 3-amino-5-tert-butylisoxazole (3) was obtained regioselectively from a reaction of 4,4-dimethyl-3-oxopentanenitrile (1) with hydroxylamine in the aqueous solution of which was adjusted to weak basic, followed by treatment of the resulting