tert-Butyl 2-bromo-4-fluorobenzoate

Base Information

• Chemical Name: tert-Butyl 2-bromo-4-fluorobenzoate
• CAS No.: 889858-12-2
• Molecular Formula: C11H12 Br F O2
• Molecular Weight: 275.117
• Hs Code.: 2916399090
• Mol file: 889858-12-2.mol

Synonyms:2-Methylpropan-2-yl4-bromo-2-fluorobenzoate; tert-Butyl 4-bromo-2-fluorobenzoate

Chemical Property of tert-Butyl 2-bromo-4-fluorobenzoate

Chemical Property:

• Vapor Pressure: 0.00366mmHg at 25°C
• Refractive Index: 1.515
• Boiling Point: 281ºC at 760 mmHg
• Flash Point: 123.7ºC
• PSA: 26.30000
• Density: 1.394g/cm3
• LogP: 3.54350
• Storage Temp.: 2-8°C

Purity/Quality:

99%, ^*data from raw suppliers

tert-Butyl4-Bromo-2-fluorobenzoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of tert-Butyl 2-bromo-4-fluorobenzoate

There total 6 articles about tert-Butyl 2-bromo-4-fluorobenzoate 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: 95.5%

2-fluoro-4-bromobenzoic acid (112704-79-7) + tert-butyl alcohol (75-65-0) → 4-bromo-2-fluoro-benzoic acid tert-butyl ester (889858-12-2)

Guidance literature:

With dmap; di-tert-butyl dicarbonate; In tetrahydrofuran; at 80 ℃; for 13h;

Reference yield: 92.0%

di-tert-butyl dicarbonate (24424-99-5) + 2,5-dibromofluorobenzene (1435-52-5) → 4-bromo-2-fluoro-benzoic acid tert-butyl ester (889858-12-2)

Guidance literature:

2,5-dibromofluorobenzene; With n-butyllithium; butyl magnesium bromide; In tetrahydrofuran; hexane; toluene; at -10 ℃; for 1h; Inert atmosphere;

di-tert-butyl dicarbonate; In tetrahydrofuran; hexane; toluene; at -10 ℃; for 2h; Inert atmosphere;

DOI:10.15227/orgsyn.089.0460

Reference yield: 88.0%

di-tert-butyl dicarbonate (24424-99-5) + 1-bromo-3-fluoro-4-iodobenzene (105931-73-5) → 4-bromo-2-fluoro-benzoic acid tert-butyl ester (889858-12-2)

Guidance literature:

1-bromo-3-fluoro-4-iodobenzene; With isopropylmagnesium chloride; In tetrahydrofuran; at -5 - 0 ℃; for 1h; Inert atmosphere; Large scale;

di-tert-butyl dicarbonate; In tetrahydrofuran; at 0 - 5 ℃; for 1h; Inert atmosphere; Large scale;

DOI:10.1021/acs.joc.8b02750

upstream raw materials:

4-bromo-2-fluorobenzoyl chloride

tert-butyl alcohol

di-tert-butyl dicarbonate

2,5-dibromofluorobenzene

Downstream raw materials:

2-((1H-pyrrolo[2,3-b]pyridin-5-yl)oxy)-4-bromobenzoic acid tert-butyl ester

[2-((1H-pyrrolo [2,3-b]pyridin-5-yl)oxy)-4-(4-((4’-chloro-5,5-dimethyl-3,4,5,6-tetrahydro-[1,1’-biphenyl]-2-yl)methyl)piperazin-1-yl)benzoic acid]

2-((1H-pyrrolo[2,3-b]pyridin-5-yl)oxy)-4-(4-((4'-chloro-5,5-dimethyl-3,4,5,6-tetrahydro-[1,1-biphenyl]-2-yl)methyl)piperazin-1-yl)-N-((3-nitro-4-(((tetrahydro-2H-pyran-4-yl)methyl)amino)phenyl)sulfonyl)benzamide

N-[5-(3,5-difluoro-benzenesulfonyl)-1H-indazol-3-yl]-2-((R)-2-methoxy-1-methyl-ethylamino)-4-(4-methyl-piperazin-1-yl)-benzamide

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