5676-56-2

Basic information

• Product Name: 5-BROMO-2-METHYLBENZODOXAZOLE
• Synonyms: 5-BROMO-2-METHYLBENZODOXAZOLE;5-BROMO-2-METHYL-BENZOOXAZOLE;5-bromo-2-methyl-1,3-benzoxazole;5-bromo-2-methyl-1,3-benzoxazole(SALTDATA: FREE);5-BroMo-2-Methylbenzoxazole;2-Methyl-5-bromobenzoxazole
• CAS NO: 5676-56-2
• Molecular Formula: C₈H₆BrNO
• Molecular Weight: 212.05
• Mol File: 5676-56-2.mol
• Article Data: 3

Chemical Properties

• Melting Point: 66-68°
• Boiling Point: 264.823°C at 760 mmHg
• Flash Point: 113.961°C
• Appearance: /
• Density: 1.606g/cm³
• Vapor Pressure: 0.016mmHg at 25°C
• Refractive Index: 1.63
• Storage Temp.: Sealed in dry,Room Temperature
• PKA: -0.45±0.10(Predicted)
• CAS DataBase Reference: 5-BROMO-2-METHYLBENZODOXAZOLE(CAS DataBase Reference)
• NIST Chemistry Reference: 5-BROMO-2-METHYLBENZODOXAZOLE(5676-56-2)
• EPA Substance Registry System: 5-BROMO-2-METHYLBENZODOXAZOLE(5676-56-2)

Safety Data

• Hazard Codes: Xn
• Statements: 22-37/38
• Safety Statements: 26-39
• WGK Germany: 3
• HazardClass: IRRITANT
• Hazardous Substances Data: 5676-56-2(Hazardous Substances Data)

Usage

General Description

5-Bromo-2-methylbenzodooxazole is a chemical compound also known as 66751-72-0, a name derived from its unique CAS Registry Number. This aromatic organic molecule has complex properties and generally appears as an off-white solid. The molecule is synthesized through bromination and methylation of its parent compound, benzodooxazole. Its precise chemical formula is C8H6BrNO, indicating it contains eight carbon atoms, one bromine atom, and one nitrogen atom among others. Its unique structure and properties make it useful in various industries, particularly in scientific research and product development. As with many chemical compounds of its nature, it should be handled with care due to potential hazards.

InChI:InChI=1/C8H6BrNO/c1-5-10-7-4-6(9)2-3-8(7)11-5/h2-4H,1H3

Upstream product

• 1450-75-5 5-Bromo-2-hydroxyacetophenone 
• 40925-68-6 2-amino-4-bromo-phenol 
• 123-54-6 acetylacetone 

Downstream Products

• 61931-68-8 2-methyl-5-phenylbenzo[d]oxazole 
• 845872-30-2 2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[d]oxazole 
• 903556-80-9 2-methylbenzo[d]oxazole-5-carbonitrile 
• 931-88-4 1,2-cyclooctene 
• 628710-94-1 4-methoxy-3-(2-methylbenzoxazol-5-yl)benzenecarboxaldehyde 

Relevant articles and documents

Acid Catalyzed Direct-Amidation-Dehydrocyclization of 2-Hydroxy-acetophenones to Benzoxazoles by a One-Pot Sustainable Synthesis

A series of 2-methyl-benzoxazoles have been synthesized starting from 2-hydroxy-acetophenones via a one-pot three steps reaction. Hydroxylamonium salt has been used as amidation agent. The reaction occurs with different anions, but the best results is achieved with hydroxylamonium hydrchloride. Despite the number of consecutive stages, the reaction is highly selective. Mild reaction conditions and various solvents can be used, but trifluoroacetic acid is the preferred. Almost, complete recovery of the trifluoroacetic acid can be achieved by vacuum distillation. The role of trifluoroacetic acid, as well as, of the hydroxylamonium salt suggests a cooperative effect leading to high selective formation of 2-methyl-benzoxazoles. Graphical Abstract: One-pot TFA catalyzed synthesis of benzoxazoles starting from 2-hydroxyacetophenones. (Chemical Equation Presented).

Microwave-assisted efficient one-step synthesis of amides from ketones and benzoxazoles from (2-hydroxyaryl) ketones with acetohydroxamic acid using sulfuric acid as the catalyst

Efficient one-step method for the synthesis of amides directly from ketones and benzoxazoles from (2-hydroxyaryl) ketones by the reaction of acetohydroxamic acid using sulfuric acid as catalyst was described.