4-Fluoro-benzoic acid 6-acetyl-2-cyano-3,4-dimethyl-phenyl ester

Base Information

• Chemical Name: 4-Fluoro-benzoic acid 6-acetyl-2-cyano-3,4-dimethyl-phenyl ester
• CAS No.: 129696-75-9
• Molecular Formula: C₁₈H₁₄FNO₃
• Molecular Weight: 311.312
• Mol file: 129696-75-9.mol

Synonyms:4-Fluoro-benzoic acid 6-acetyl-2-cyano-3,4-dimethyl-phenyl ester

Chemical Property of 4-Fluoro-benzoic acid 6-acetyl-2-cyano-3,4-dimethyl-phenyl ester

Chemical Property:

Purity/Quality:

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MSDS Files:

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Technology Process of 4-Fluoro-benzoic acid 6-acetyl-2-cyano-3,4-dimethyl-phenyl ester

There total 2 articles about 4-Fluoro-benzoic acid 6-acetyl-2-cyano-3,4-dimethyl-phenyl 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: 76.0%

3-cyano-4,5-dimethyl-2-hydroxyacetophenone (89638-56-2) + 4-fluorobenzoyl chloride (403-43-0) → 4-Fluoro-benzoic acid 6-acetyl-2-cyano-3,4-dimethyl-phenyl ester (129696-75-9)

Guidance literature:

With triethylamine; In 1,4-dioxane; 1.) a) 30 min, b) RT, overnight;

Reference yield:

6-Acetyl-1-amino-3,4-dimethyl-7-oxa-bicyclo[2.2.1]hept-2-ene-2-carbonitrile → 4-Fluoro-benzoic acid 6-acetyl-2-cyano-3,4-dimethyl-phenyl ester (129696-75-9)

Guidance literature:

Multi-step reaction with 2 steps

1: conc. HCl / H₂O; acetone / 2 h / 80 °C

2: 76 percent / 1.) a) Et₃N / dioxane / 1.) a) 30 min, b) RT, overnight

With hydrogenchloride; triethylamine; In 1,4-dioxane; water; acetone;

Reference yield: 80.0%

4-Fluoro-benzoic acid 6-acetyl-2-cyano-3,4-dimethyl-phenyl ester (129696-75-9) → 3-[3-(4-Fluoro-phenyl)-3-oxo-propionyl]-2-hydroxy-5,6-dimethyl-benzonitrile (129696-86-2)

Guidance literature:

With pyridine; potassium hydroxide; 1.) a) reflux, 2 h, b) RT, overnight;

upstream raw materials:

3-cyano-4,5-dimethyl-2-hydroxyacetophenone

4-fluorobenzoyl chloride

Downstream raw materials:

3-[3-(4-Fluoro-phenyl)-3-oxo-propionyl]-2-hydroxy-5,6-dimethyl-benzonitrile

2-(4-Fluoro-phenyl)-6,7-dimethyl-4-oxo-4H-chromene-8-carbonitrile

2-(4-Fluoro-phenyl)-6,7-dimethyl-4-oxo-4H-chromene-8-carboxylic acid

methyl 2-(4-fluorophenyl)-6,7-dimethyl-4-oxo-4H-chromene-8-carboxylate