6-BROMO-5-METHYL-1,3-BENZOXAZOLE

Base Information

• Chemical Name: 6-BROMO-5-METHYL-1,3-BENZOXAZOLE
• CAS No.: 1268037-03-1
• Molecular Formula: C₈H₆BrNO
• Molecular Weight: 212.046
• Hs Code.: 2934999090
• Mol file: 1268037-03-1.mol

Synonyms:6-BROMO-5-METHYL-1,3-BENZOXAZOLE;6-broMo-5-Methylbenzo[d]oxazole;6-bromo-5-methylbenzoxazole

Chemical Property of 6-BROMO-5-METHYL-1,3-BENZOXAZOLE

Chemical Property:

• Boiling Point: 269.6±20.0 °C(Predicted)
• PKA: 1.00±0.30(Predicted)
• PSA: 26.03000
• Density: 1.606±0.06 g/cm3(Predicted)
• LogP: 2.89870

Purity/Quality:

95+% ^*data from raw suppliers

6-Bromo-5-methylbenzo[d]oxazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 6-BROMO-5-METHYL-1,3-BENZOXAZOLE

There total 2 articles about 6-BROMO-5-METHYL-1,3-BENZOXAZOLE which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 38.0%

2-amino-4-methyl-5-bromophenol (1268153-80-5) + trimethyl orthoformate (149-73-5) → 6-bromo-5-methylbenzoxazole (1268037-03-1)

Guidance literature:

ytterbium(III) triflate; In ethanol; at 90 ℃; for 2h;

Reference yield:

4-bromo-2-methoxy-5-methylaniline (873980-68-8) → 6-bromo-5-methylbenzoxazole (1268037-03-1)

Guidance literature:

Multi-step reaction with 2 steps

1: boron tribromide / dichloromethane / 2 h / 20 °C

2: ytterbium(III) triflate / ethanol / 2 h / 90 °C

With boron tribromide; ytterbium(III) triflate; In ethanol; dichloromethane;

Reference yield:

6-bromo-5-methylbenzoxazole (1268037-03-1) → N-[5-(5-methylbenzoxazol-6-yl)(2-pyridyl)](2-fluorophenyl)carboxamide (1345118-01-5)

Guidance literature:

Multi-step reaction with 2 steps

1.1: potassium phosphate / bis(di-tert-?butyl(4-?dimethylaminophenyl)?phosphine)?dichloropalladium(II) / 1,4-dioxane; acetonitrile; water / 2 h / 85 °C / Inert atmosphere

2.1: N-ethyl-N,N-diisopropylamine / dmap / dichloromethane / 3 h / 20 °C

2.2: 0.67 h / 20 °C

With potassium phosphate; N-ethyl-N,N-diisopropylamine; dmap; bis(di-tert-?butyl(4-?dimethylaminophenyl)?phosphine)?dichloropalladium(II); In 1,4-dioxane; dichloromethane; water; acetonitrile;

upstream raw materials:

2-amino-4-methyl-5-bromophenol

trimethyl orthoformate

4-bromo-2-methoxy-5-methylaniline

Downstream raw materials:

N-[5-(5-methylbenzoxazol-6-yl)(2-pyridyl)](2-fluorophenyl)carboxamide

Refernces