Benzoic acid, 4-fluoro-3-nitro-, 1,1-dimethylethyl ester

Base Information

• Chemical Name: Benzoic acid, 4-fluoro-3-nitro-, 1,1-dimethylethyl ester
• CAS No.: 579514-75-3
• Molecular Formula: C11H12FNO4
• Molecular Weight: 241.219
• Mol file: 579514-75-3.mol

Synonyms:Benzoic acid,4-fluoro-3-nitro-,1,1-dimethylethyl ester;1,1-dimethylethyl 4-fluoro-3-nitrobenzoate;4-fluoro-3-nitrobenzoic acid tert-butyl ester;

Chemical Property of Benzoic acid, 4-fluoro-3-nitro-, 1,1-dimethylethyl ester

Chemical Property:

• PSA: 72.12000
• LogP: 3.21240
• Storage Temp.: Sealed in dry,Room Temperature

Purity/Quality:

99%, ^*data from raw suppliers

tert-Butyl 4-fluoro-3-nitrobenzoate 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of Benzoic acid, 4-fluoro-3-nitro-, 1,1-dimethylethyl ester

There total 6 articles about Benzoic acid, 4-fluoro-3-nitro-, 1,1-dimethylethyl 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: 78.0%

di-tert-butyl dicarbonate (24424-99-5) + 3-nitro-4-fluorobenzoic acid (453-71-4) → tert-butyl 4-fluoro-3-nitrobenzoate (579514-75-3)

Guidance literature:

With dmap; In tert-butyl alcohol; at 45 ℃; for 20h; Inert atmosphere;

Reference yield: 64.0%

tert-Butyl 2,2,2-trichloroacetimidate (98946-18-0) + 3-nitro-4-fluorobenzoic acid (453-71-4) → tert-butyl 4-fluoro-3-nitrobenzoate (579514-75-3)

Guidance literature:

With boron trifluoride diethyl etherate; In diethyl ether; at 20 ℃; for 16h;

Reference yield: 54.0%

3-nitro-4-fluorobenzoic acid (453-71-4) + tert-butyl alcohol (75-65-0) → tert-butyl 4-fluoro-3-nitrobenzoate (579514-75-3)

Guidance literature:

With dmap; di-tert-butyl dicarbonate; at 40 ℃;

upstream raw materials:

tert-Butyl 2,2,2-trichloroacetimidate

3-nitro-4-fluorobenzoic acid

di-tert-butyl dicarbonate

N,N-dimethylformamide di-tert-butyl acetal

Downstream raw materials:

4-(cyclopropylamino)-3-nitrobenzoic acid tert-butyl ester

tert-butyl 3-nitro-4-(piperazin-1-yl)benzoate

ethyl 8-bromo-7-(4-(tert-butoxycarbonyl)-2-nitrophenoxy)-6-chlorochroman-4-carboxylate

ethyl 7-(4-(tert-butoxycarbonyl)-2-nitrophenoxy)-6,8-dichlorochroman-4-carboxylate

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