5-broMo-2-ethylbenzoic acid Methyl ester

Base Information

• Chemical Name: 5-broMo-2-ethylbenzoic acid Methyl ester
• CAS No.: 439937-54-9
• Molecular Formula: C₁₀H₁₁BrO₂
• Molecular Weight: 243.1
• Hs Code.: 2916399090
• Mol file: 439937-54-9.mol

Synonyms:QC-7533;5-bromo-2-ethylbenzoic acid methyl ester;methyl 5-bromanyl-2-ethyl-benzoate;

Chemical Property of 5-broMo-2-ethylbenzoic acid Methyl ester

Chemical Property:

• Vapor Pressure: 0.001mmHg at 25°C
• Boiling Point: 300.86oC at 760 mmHg
• Flash Point: 135.756oC
• PSA: 26.30000
• Density: 1.379g/cm3
• LogP: 2.79810
• Storage Temp.: Sealed in dry,Room Temperature

Purity/Quality:

97% ^*data from raw suppliers

Methyl5-bromo-2-ethylbenzoate 98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 5-broMo-2-ethylbenzoic acid Methyl ester

There total 1 articles about 5-broMo-2-ethylbenzoic acid Methyl ester 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:

1-bromo-4-ethylbenzene (1585-07-5) + acetyl chloride (75-36-5) → 2-bromo-5-ethylacetophenone + methyl 5-bromo-2-ethylbenzoate (439937-54-9)

Guidance literature:

aluminium trichloride; Yield given. Yields of byproduct given;

DOI:10.1002/oms.1210210411

Reference yield:

methyl 5-bromo-2-ethylbenzoate (439937-54-9) → methyl 5-bromo-2-(1-bromoethyl)benzoate

Guidance literature:

With N-Bromosuccinimide; 2,2'-azobis(isobutyronitrile); In tetrachloromethane; for 4h; Reflux; Large scale;

Reference yield:

methyl 5-bromo-2-ethylbenzoate (439937-54-9) → 3-(5-fluoropyrimidin-4-yl)-2-[(1R)-1-(4-methoxyphenyl)ethyl]-3-methyl-6-(1-(tetrahydropyran-2-yl)pyrazol-4-yl)isoindolin-1-one

Guidance literature:

Multi-step reaction with 5 steps

1: N-Bromosuccinimide; 2,2'-azobis(isobutyronitrile) / tetrachloromethane / 4 h / Reflux; Large scale

2: triethylamine / methanol / 10 h / 67 °C / Large scale

3: potassium carbonate; (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride / 1,4-dioxane; water / 18 h / 70 - 85 °C / Inert atmosphere

4: sodium hexamethyldisilazane / tetrahydrofuran / 2 h / 0 °C

5: triethylamine; 20% palladium hydroxide-activated charcoal; hydrogen / ethyl acetate / 16 h / 20 - 25 °C / 1551.49 Torr

With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; N-Bromosuccinimide; 2,2'-azobis(isobutyronitrile); 20% palladium hydroxide-activated charcoal; hydrogen; sodium hexamethyldisilazane; potassium carbonate; triethylamine; In tetrahydrofuran; 1,4-dioxane; methanol; tetrachloromethane; water; ethyl acetate;

upstream raw materials:

1-bromo-4-ethylbenzene

acetyl chloride

Downstream raw materials:

3-(5-fluoropyrimidin-4-yl)-3-methyl-6-(1H-pyrazol-4-yl)isoindolin-1-one

3-(5-fluoropyrimidin-4-yl)-3-methyl-6-(1H-pyrazol-4-yl)isoindolin-1-one

Refernces