3-CYANO-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-BENZOIC ACID, METHYL ESTER

Base Information

• Chemical Name: 3-CYANO-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-BENZOIC ACID, METHYL ESTER
• CAS No.: 1258963-20-0
• Molecular Formula: C15H18BNO4
• Molecular Weight: 287.123
• Mol file: 1258963-20-0.mol

Synonyms:3-CYANO-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-BENZOIC ACID, METHYL ESTER;Methyl 3cyano4(tetraMethyl1,3,2dioxaborolan2yl)benzoate;Methyl 3-cyano-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate

Chemical Property of 3-CYANO-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-BENZOIC ACID, METHYL ESTER

Chemical Property:

• PSA: 68.55000
• LogP: 1.64408

Purity/Quality:

97% ^*data from raw suppliers

Methyl3-Cyano-4-(4,4,5,5-Tetramethyl-1,3,2-Dioxaborolan-2-Yl)Benzoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 3-CYANO-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-BENZOIC ACID, METHYL ESTER

There total 3 articles about 3-CYANO-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-BENZOIC ACID, METHYL 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: 62.0%

methyl 3-cyano-4-(((trifluoromethyl)sulfonyl)oxy)benzoate (156001-69-3) + bis(pinacol)diborane (73183-34-3) → methyl 3-cyano-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate (1258963-20-0)

Guidance literature:

With potassium acetate; (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; In 1,4-dioxane; at 100 ℃; for 18h; sealed flask; Inert atmosphere;

Reference yield:

methyl 3-iodo-4-hydroxybenzoate (15126-06-4) → methyl 3-cyano-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate (1258963-20-0)

Guidance literature:

Multi-step reaction with 3 steps

1: N,N-dimethyl-formamide / 18 h / 105 °C

2: pyridine / 4-(dicyanomethylene)-2-methyl-6-(p-dimethylaminostyryl)-4H-pyran / 0 - 20 °C

3: potassium acetate; (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride / 1,4-dioxane / 18 h / 100 °C / Inert atmosphere

With pyridine; (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; potassium acetate; In 1,4-dioxane; 4-(dicyanomethylene)-2-methyl-6-(p-dimethylaminostyryl)-4H-pyran; N,N-dimethyl-formamide;

Reference yield:

methyl 3-cyano-4-hydroxybenzoate (156001-68-2) → methyl 3-cyano-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate (1258963-20-0)

Guidance literature:

Multi-step reaction with 2 steps

1: pyridine / 4-(dicyanomethylene)-2-methyl-6-(p-dimethylaminostyryl)-4H-pyran / 0 - 20 °C

2: potassium acetate; (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride / 1,4-dioxane / 18 h / 100 °C / Inert atmosphere

With pyridine; (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; potassium acetate; In 1,4-dioxane; 4-(dicyanomethylene)-2-methyl-6-(p-dimethylaminostyryl)-4H-pyran;

upstream raw materials:

methyl 3-cyano-4-(((trifluoromethyl)sulfonyl)oxy)benzoate

bis(pinacol)diborane

methyl 3-iodo-4-hydroxybenzoate

methyl 3-cyano-4-hydroxybenzoate

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