54903-63-8

Basic information

• Product Name: 6-benzoyl-3-methyl-1,3-benzoxazol-2(3H)-one
• Synonyms: 2(3H)-Benzoxazolone, 6-benzoyl-3-methyl-; 6-Benzoyl-3-methyl-1,3-benzoxazol-2(3H)-one
• CAS NO: 54903-63-8
• Molecular Formula: C₁₅H₁₁NO₃
• Molecular Weight: 253.2527
• Mol File: 54903-63-8.mol
• Article Data: 10

Chemical Properties

• Melting Point: 147-149 °C(Solv: ethanol (64-17-5))
• Boiling Point: 421.1°C at 760 mmHg
• Flash Point: 208.5°C
• Density: 1.297g/cm³
• Vapor Pressure: 2.67E-07mmHg at 25°C
• Refractive Index: 1.624
• PKA: -3.43±0.20(Predicted)
• CAS DataBase Reference: 6-benzoyl-3-methyl-1,3-benzoxazol-2(3H)-one(CAS DataBase Reference)
• NIST Chemistry Reference: 6-benzoyl-3-methyl-1,3-benzoxazol-2(3H)-one(54903-63-8)
• EPA Substance Registry System: 6-benzoyl-3-methyl-1,3-benzoxazol-2(3H)-one(54903-63-8)

Safety Data

• Hazardous Substances Data: 54903-63-8(Hazardous Substances Data)

Upstream product

• 98-88-4 benzoyl chloride 
• 59-49-4 2-Benzoxazolinone 
• 54903-12-7 6-benzoyl-2(3H)-benzoxazolone 
• 74-87-3 methylene chloride 
• 21892-80-8 3-methylbenzo[d]oxazol-2(3H)-one 
• 65-85-0 benzoic acid 
• 93-97-0 benzoic acid anhydride 
• 13787-59-2 3-benzoyl-2(3H)-benzoxazolone 

Downstream Products

• 848926-02-3 C₁₅H₁₃NO₃ 
• 116363-84-9 7-Benzoyl-2,4-dimethyl-4H-benzo[1,4]oxazin-3-one 
• 116337-61-2 7-Benzoyl-4-methyl-4H-benzo[1,4]oxazin-3-one 
• 116337-62-3 7-Benzoyl-2,2,4-trimethyl-4H-benzo[1,4]oxazin-3-one 
• 54903-59-2 (3-Hydroxy-4-methylamino-phenyl)-phenyl-methanone 

Relevant articles and documents

FeCl3-DMF complex as efficient catalyst for the synthesis of 6-acyl-2(3H)-benzoxazolones and 6-acyl-2(3H)-benzothiazolones

FeCl3-DMF complex has been tested on Friedel-Crafts reaction of 2(3H)-benzoxazolone and 2(3H)-benzothiazolone with acid chlorides and anhydrides as acylating agents. In these conditions, the 6-acyl-2(3H)-benzoxazolones and 6-acyl-2(3H)-benzothiazolones were obtained in yields ranging from 52 to 89%. Among the various commonly catalysts; AlCl3-DMF, ZnCl2-DMF and PPA, explored in this study, the best conditions using FeCl3-DMF were found the most convenient one

Aromatase inhibitor compounds and uses thereof

The invention concerns the use of a compound of formula (I) inhibitor of aromatase for the preparation of a pharmaceutical formulation intended for treatment of cancer or psoriasis. It equally relates to compounds of formula (I), notably for their use as active ingredients of a medication.

Friedel-crafts acylation of 2(3H)-benzoxazolone: Investigation of the role of the catalyst and microwave activation

To study the scope and limitations of the use of complexed species of AlCl3 in Friedel-Crafts reactions, we investigated the acctylation and benzoylation of 2(3H)-benzoxazolone and 3-methyl-2(3H)-benzoxazolone varying the amide complexing agent. We replaced dimethylformamide by N-methylformamide, dimethylacetamide, pyrrolidone, N-methylpyrrolidone, tetramethylurea, and dimethylsulfoxide. However, there was no particular advantage of substituting dimethylformamide by another amide ligand. This can probably be ascribed to the fact that the complex formed between AlCl3 and the complexing agent becomes too stable. Alternatively, a route using polyphosphoric acid and microwave activation was explored. The major advantage of running the reaction in a microwave oven was that a good yield was reached in a rather short period of time.