4-BroMo-3-fluoro-benzoic acid tert-butyl ester

Base Information

• Chemical Name: 4-BroMo-3-fluoro-benzoic acid tert-butyl ester
• CAS No.: 1057961-75-7
• Molecular Formula: C₁₁H₁₂BrFO₂
• Molecular Weight: 275.117
• Mol file: 1057961-75-7.mol

Synonyms:4-BroMo-3-fluoro-benzoic acid tert-butyl ester;4-Bromo-3-fluorobenzoic acid 1,1-dimethylethyl ester

Chemical Property of 4-BroMo-3-fluoro-benzoic acid tert-butyl ester

Chemical Property:

• Boiling Point: 303.7±27.0 °C(Predicted)
• PSA: 26.30000
• Density: 1.394±0.06 g/cm3(Predicted)
• LogP: 3.54350
• Storage Temp.: 2-8°C

Purity/Quality:

98%min ^*data from raw suppliers

TERT-BUTYL 4-BROMO-3-FLUOROBENZOATE 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 4-BroMo-3-fluoro-benzoic acid tert-butyl ester

There total 1 articles about 4-BroMo-3-fluoro-benzoic acid tert-butyl 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: 96.0%

di-tert-butyl dicarbonate (24424-99-5) + 4-bromo-3-fluorobenzoic acid (153556-42-4) → tert-butyl 4-bromo-3-fluorobenzoate (1057961-75-7)

Guidance literature:

di-tert-butyl dicarbonate; 4-bromo-3-fluorobenzoic acid; With dmap; In tert-butyl alcohol; at 60 ℃; for 3h;

With ammonia; In methanol; tert-butyl alcohol; at 20 ℃; for 0.166667h;

Reference yield:

tert-butyl 4-bromo-3-fluorobenzoate (1057961-75-7) → methyl 3-(4-(tert-butoxycarbonyl)-2-fluorophenyl)-1-(2-chloro-6-(1-(trifluoromethyl)cyclopropyl)benzoyl)-4,5,6,7-tetrahydro-1H-indazole-6-carboxylate

Guidance literature:

Multi-step reaction with 2 steps

1: potassium acetate; dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH₂Cl₂ / dimethyl sulfoxide / 80 °C / Inert atmosphere

2: potassium acetate; dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH₂Cl₂ / water; tetrahydrofuran / 80 °C / Inert atmosphere

With dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH₂Cl₂; potassium acetate; In tetrahydrofuran; water; dimethyl sulfoxide;

Reference yield:

tert-butyl 4-bromo-3-fluorobenzoate (1057961-75-7) → 4-(1-(2-chloro-6-cyclopropylbenzoyl)-6-(hydroxymethyl)-4,5,6,7-tetrahydro-1H-indazol-3-yl)-3-fluorobenzoic acid

Guidance literature:

Multi-step reaction with 2 steps

1.1: potassium acetate; dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH₂Cl₂ / dimethyl sulfoxide / 80 °C / Inert atmosphere

2.1: potassium phosphate; chloro(2-dicyclohexylphosphino-2′,6′-diisopropoxy-1,1′-biphenyl)[2-(2′-amino-1,1′-biphenyl)]palladium(II) / 1,4-dioxane / 24 h / 80 °C / Inert atmosphere

2.2: 3 h / 20 °C

With potassium phosphate; dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH₂Cl₂; chloro(2-dicyclohexylphosphino-2′,6′-diisopropoxy-1,1′-biphenyl)[2-(2′-amino-1,1′-biphenyl)]palladium(II); potassium acetate; In 1,4-dioxane; dimethyl sulfoxide;

upstream raw materials:

di-tert-butyl dicarbonate

4-bromo-3-fluorobenzoic acid

Refernces

• 1、 -. "ISOXAZOLYL-CARBONYLOXY AZABICYCLO[3.2.1]OCTANYL COMPOUNDS AS FXR ACTIVATORS". Paragraph 00345. . Retrieved 2018/09/25.