94447-61-7

Basic information

• Product Name: Isoxazole, 3-phenyl-5-(phenylmethoxy)-
• CAS NO: 94447-61-7
• Molecular Formula: C16H13NO2
• Molecular Weight: 251.285
• Mol File: 94447-61-7.mol
• Article Data: 5

Chemical Properties

• CAS DataBase Reference: Isoxazole, 3-phenyl-5-(phenylmethoxy)-(CAS DataBase Reference)
• NIST Chemistry Reference: Isoxazole, 3-phenyl-5-(phenylmethoxy)-(94447-61-7)
• EPA Substance Registry System: Isoxazole, 3-phenyl-5-(phenylmethoxy)-(94447-61-7)

Safety Data

• Hazardous Substances Data: 94447-61-7(Hazardous Substances Data)

Upstream product

• 3356-89-6 3-phenyl-5-chloroisoxazole 
• 100-51-6 benzyl alcohol 
• 3356-92-1 5-bromo-3-phenylisoxazole 
• 1076-59-1 3-phenyl-4H-isoxazol-5-one 
• 454253-30-6 trifluoromethanesulfonic acid 3-phenyl-isoxazol-5-yl ester 

Relevant articles and documents

An isoxazole strategy for the synthesis of alkyl 5-amino-4-cyano-1H-pyrrole-2-carboxylates - versatile building blocks for assembling pyrrolo-fused heterocycles

A full atom-economical domino method has been developed for the preparation of alkyl 5-amino-4-cyano-1H-pyrrole-2-carboxylates by transannulation of 5-alkoxyisoxazoles with malononitrile under Fe(ii) catalysis. Alkyl 5-amino-4-cyano-1H-pyrrole-2-carboxylates are excellent building blocks for various annulation reactions, leading to new derivatives of 1H-pyrrolo[1,2-a]imidazole and pyrrolo[2,3-d]pyrimidine. The DFT calculations of mechanistic details of alkyl 5-amino-4-cyano-1H-pyrrole-2-carboxylate formation are presented.

Easy Access to 2-Fluoro- And 2-Iodo-2 H -azirines via the Halex Reaction

A simple gram-scale method for the preparation of esters and dialkylamides of 2-(fluoro/iodo)-2 H -azirine-2-carboxylic acids via the halogen exchange (Halex) reaction of 2-bromo-substituted analogues is reported. The method operates with inexpensive and safe reagents, Bu 4 NF and potassium iodide, providing high product yields. Alternatively, 2-fluoro-2 H -azirine-2-carboxylates can be prepared from 2-iodo- and 2-chloro-analogues. The latter compounds can be obtained in practically quantitative yield by treating the 2-iodo- and 2-bromo-2 H -azirine-2-carboxylic esters with Bu 4 NCl.

SYNTHESIS AND NUCLEOPHILIC SUBSTITUTIONS OF 3-ALKYL-5-CHLOROISOXAZOLES

A 3-alkyl-5-chloroisoxazole synthesis is described based on the cycloaddition of nitrile oxides to 1,1-dichloroethylene, an inexpensive dipolarophile.Substitution of the chloride in these adducts by various nucleophiles is also described.