862207

4-Ethoxymethylene-2-phenyl-2-oxazolin-5-one

purified by recrystallization

• Synonyme(s) : 2-Phenyl-1-4-heteromethylene-5-oxazolone, 2-Phenyl-4-(ethoxymethylene)-2-oxazolinone, 2-Phenyl-4-(ethoxymethylene)oxazolone, 2-Phenyl-4-ethoxymethylene-5-oxazolone, 4-(Ethoxymethylene)-2-phenyl-5(4H)-oxazolone, 4-Ethoxymethylene-2-phenyl oxazolone, 4-Ethoxymethylene-2-phenyl-5-oxazolone, Oxazolone
• Formule empirique (notation de Hill) : C₁₂H₁₁NO₃
• CAS Number: 15646-46-5
• Poids moléculaire : 217.22
• Numéro CE : 239-713-9
• Numéro MDL: MFCD00003204
• Code UNSPSC : 12352100
• ID de substance PubChem : 24888573
• Nomenclature NACRES : NA.22

Propriétés

• Forme: solid
• Produit purifié par: recrystallization
• Pf: 94-96 °C (dec.) (lit.)
• Groupe fonctionnel: ester; ether; phenyl
• Température de stockage: 2-8°C
• Chaîne SMILES: CCO\C=C1/N=C(OC1=O)c2ccccc2
• InChI: 1S/C12H11NO3/c1-2-15-8-10-12(14)16-11(13-10)9-6-4-3-5-7-9/h3-8H,2H2,1H3/b10-8-
• Clé InChI: SJHPCNCNNSSLPL-NTMALXAHSA-N

Description

Description générale

4-Ethoxymethylene-2-phenyl-2-oxazolin-5-one is a heterocyclic compound that belongs to the oxazolone family and serves as an important intermediate in the synthesis of amino acids, peptides, and heterocyclic precursors.

Application

4-Ethoxymethylene-2-phenyl-2-oxazolin-5-one can be used as a reactant to synthesize:

• Pyrimidinone derivatives with N-carboxymethylbenzamidine.
• Multi-functionalized 1-azabicycles with acyclic enaminones via formal aza-[3+3] cycloaddition.

It can also be used as a source of alpha-amino acid residue to synthesize N-1,2,3-triazolyl substituted amino acid derivatives.

Informations sur la sécurité

• Pictogrammes: GHS07
• Mention d'avertissement: Warning
• Mentions de danger: H317
• Conseils de prudence: P280
• Classification des risques: Skin Sens. 1
• Code de la classe de stockage: 11 - Combustible Solids
• Classe de danger pour l'eau (WGK): WGK 3
• Point d'éclair (°F): Not applicable
• Point d'éclair (°C): Not applicable
• Équipement de protection individuelle: dust mask type N95 (US), Eyeshields, Faceshields, Gloves