T-butyl 4-formyl-3,5-difluorobenzoate

Base Information

• Chemical Name: T-butyl 4-formyl-3,5-difluorobenzoate
• CAS No.: 467442-12-2
• Molecular Formula: C12H12F2O3
• Molecular Weight: 242.222
• Hs Code.: 2918300090
• Mol file: 467442-12-2.mol

Synonyms:T-butyl 4-formyl-3,5-difluorobenzoate;3,5-Difluoro-4-formylbenzoic acid 1,1-dimethylethyl ester

Chemical Property of T-butyl 4-formyl-3,5-difluorobenzoate

Chemical Property:

• PSA: 43.37000
• LogP: 2.73260

Purity/Quality:

97% ^*data from raw suppliers

tert-Butyl3,5-difluoro-4-formylbenzoate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of T-butyl 4-formyl-3,5-difluorobenzoate

There total 2 articles about T-butyl 4-formyl-3,5-difluorobenzoate 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: 83.0%

N,N-dimethyl-formamide (68-12-2,33513-42-7) + 3,5-difluorobenzoic acid-tert-butyl ester → tert-butyl 3,5-difluoro-4-formylbenzoate (467442-12-2)

Guidance literature:

3,5-difluorobenzoic acid-tert-butyl ester; With n-butyllithium; diisopropylamine; In tetrahydrofuran; hexane; at -78 ℃; for 3h;

N,N-dimethyl-formamide; In tetrahydrofuran; hexane; at -78 ℃; for 0.5h;

Reference yield:

3,5-difluorobenzoic acid (455-40-3) → tert-butyl 3,5-difluoro-4-formylbenzoate (467442-12-2)

Guidance literature:

Multi-step reaction with 2 steps

1.1: magnesium sulfate; sulfuric acid / toluene / 20 °C

2.1: diisopropylamine; n-butyllithium / hexane; tetrahydrofuran / 3 h / -78 °C

2.2: 0.5 h / -78 °C

With n-butyllithium; sulfuric acid; magnesium sulfate; diisopropylamine; In tetrahydrofuran; hexane; toluene;

Reference yield: 97.0%

tert-butyl 3,5-difluoro-4-formylbenzoate (467442-12-2) → tert-butyl 3,5-difluoro-4-(hydroxymethyl)benzoate (1239964-17-0)

Guidance literature:

With sodium tetrahydroborate; In methanol; at 0 ℃; for 0.333333h;

upstream raw materials:

N,N-dimethyl-formamide

3,5-difluorobenzoic acid

Downstream raw materials:

2,5-difluoro-4-t-butoxycarbonylphenethylamine

(S)-4,4-difluoro-2-aminobutyric acid 2,5-difluoro-4-t-butoxycarbonylphenethylamide

3,5-difluoro-4-(2-nitro-vinyl)-benzoic acid tert-butyl ester

3,5-difluoro-4-(2-nitro-ethyl)-benzoic acid tert-butyl ester

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