5-(DIMETHYLCARBAMOYL)-2-FLUOROBENZENEBORONIC ACID

Base Information

• Chemical Name: 5-(DIMETHYLCARBAMOYL)-2-FLUOROBENZENEBORONIC ACID
• CAS No.: 874289-46-0
• Molecular Formula: C9H11BFNO3
• Molecular Weight: 211.001
• Hs Code.: 2931900090
• Mol file: 874289-46-0.mol

Synonyms:Boronicacid, [5-[(dimethylamino)carbonyl]-2-fluorophenyl]- (9CI);

Chemical Property of 5-(DIMETHYLCARBAMOYL)-2-FLUOROBENZENEBORONIC ACID

Chemical Property:

• Vapor Pressure: 2.83E-08mmHg at 25°C
• Melting Point: 143-147 ºC
• Refractive Index: 1.535
• Boiling Point: 433.2 °C at 760 mmHg
• Flash Point: 215.8 °C
• PSA: 60.77000
• Density: 1.28 g/cm³
• LogP: -0.79270
• Storage Temp.: Keep Cold

Purity/Quality:

97% ^*data from raw suppliers

N,N-Dimethyl3-borono-4-fluorobenzamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 5-(DIMETHYLCARBAMOYL)-2-FLUOROBENZENEBORONIC ACID

There total 1 articles about 5-(DIMETHYLCARBAMOYL)-2-FLUOROBENZENEBORONIC ACID 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:

4-fluoro-3-((3aR,4R,6R,7aS)-3a-(4-(2-(2-methoxyethoxy)ethoxy)butyl)-5,5-dimethylhexahydro-4,6-methanobenzo[d][1,3,2]dioxaborol-2-yl)-N,N-dimethylbenzamide → (5-(dimethylcarbamoyl)-2-fluorophenyl)boronic acid (874289-46-0) + (1R,2R,3S,5R)-2-(4-(2-(2-methoxyethoxy)ethoxy)butyl)-6,6-dimethylbicyclo[3.1.1]heptane-2,3-diol

Guidance literature:

In tetrahydrofuran; at 20 ℃; Equilibrium constant; Inert atmosphere;

DOI:10.1002/anie.201510321

Reference yield: 53.0%

(5-(dimethylcarbamoyl)-2-fluorophenyl)boronic acid (874289-46-0) + (1R,2R,3S,5R)-2-(4-(2-(2-methoxyethoxy)ethoxy)butyl)-6,6-dimethylbicyclo[3.1.1]heptane-2,3-diol → 4-fluoro-3-((3aR,4R,6R,7aS)-3a-(4-(2-(2-methoxyethoxy)ethoxy)butyl)-5,5-dimethylhexahydro-4,6-methanobenzo[d][1,3,2]dioxaborol-2-yl)-N,N-dimethylbenzamide

Guidance literature:

In tetrahydrofuran; at 20 ℃; Equilibrium constant; Inert atmosphere;

DOI:10.1002/anie.201510321

Reference yield: 47.6%

3-chloro-6-methylpyridazine (1121-79-5) + (5-(dimethylcarbamoyl)-2-fluorophenyl)boronic acid (874289-46-0) → 4-fluoro-N,N-dimethyl-3-(6-methylpyridazin-3-yl)benzamide (1405128-21-3)

Guidance literature:

With sodium carbonate; tetrakis(triphenylphosphine) palladium⁽⁰⁾; In 1,4-dioxane; at 120 ℃; for 0.5h; microwave irradiation;

Downstream raw materials:

4-fluoro-N,N-dimethyl-3-(6-methylpyridazin-3-yl)benzamide

3-(6-(chloromethyl)pyridazin-3-yl)-4-fluoro-N,N-dimethylbenzamide

3-(6-(azidomethyl)pyridazin-3-yl)-4-fluoro-N,N-dimethylbenzamide

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