4-(DIMETHYLCARBAMOYL)-3-FLUOROBENZENEBORONIC ACID

Base Information

• Chemical Name: 4-(DIMETHYLCARBAMOYL)-3-FLUOROBENZENEBORONIC ACID
• CAS No.: 874289-13-1
• Molecular Formula: C9H11 B F N O3
• Molecular Weight: 211
• Hs Code.: 2931900090
• Mol file: 874289-13-1.mol

Synonyms:Boronicacid, [4-[(dimethylamino)carbonyl]-3-fluorophenyl]- (9CI)

Chemical Property of 4-(DIMETHYLCARBAMOYL)-3-FLUOROBENZENEBORONIC ACID

Chemical Property:

• Vapor Pressure: 9.21E-08mmHg at 25°C
• Melting Point: 147-149
• Refractive Index: 1.535
• Boiling Point: 418.8°C at 760 mmHg
• PKA: 6.67±0.10(Predicted)
• Flash Point: 207.1°C
• PSA: 60.77000
• Density: 1.28
• LogP: -0.79270
• Storage Temp.: Keep Cold

Purity/Quality:

97% ^*data from raw suppliers

4-(Dimethylcarbamoyl)-3-fluorophenylboronicacid ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 4-(DIMETHYLCARBAMOYL)-3-FLUOROBENZENEBORONIC ACID

There total 5 articles about 4-(DIMETHYLCARBAMOYL)-3-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-bromo-2-fluoro-N,N-dimethylbenzamide (749927-80-8) → 4-(N,N-dimethylcarbamoyl)-3-fluorophenylboronic acid (874289-13-1)

Guidance literature:

4-bromo-2-fluoro-N,N-dimethylbenzamide; With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; potassium acetate; bis(pinacol)diborane; In 2-methyltetrahydrofuran; at 80 ℃; for 15h;

With water; sodium hydroxide; In 2-methyltetrahydrofuran;

With hydrogenchloride; sodium periodate; In 2-methyltetrahydrofuran; water; at 20 ℃; for 15h;

DOI:10.1021/op100267p

Reference yield:

2-fluoro-N,N-dimethyl-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide (1264616-33-2) → 4-(N,N-dimethylcarbamoyl)-3-fluorophenylboronic acid (874289-13-1)

Guidance literature:

With hydrogenchloride; sodium periodate; In 2-methyltetrahydrofuran; water; at 10 - 20 ℃;

DOI:10.1021/acs.oprd.6b00035

Reference yield:

4-bromo-2-fluoro-N,N-dimethylbenzamide (749927-80-8) + bis(pinacol)diborane (73183-34-3) → 4-(N,N-dimethylcarbamoyl)-3-fluorophenylboronic acid (874289-13-1) + 2-fluoro-N,N-dimethyl-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide (1264616-33-2)

Guidance literature:

4-bromo-2-fluoro-N,N-dimethylbenzamide; bis(pinacol)diborane; With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; potassium acetate; In 2-methyltetrahydrofuran; at 80 ℃; for 15h;

With water; sodium hydroxide; In 2-methyltetrahydrofuran;

With hydrogenchloride; In 2-methyltetrahydrofuran; water; at 0 ℃; pH=1.5;

DOI:10.1021/op100267p

upstream raw materials:

4-bromo-2-fluoro-N,N-dimethylbenzamide

bis(pinacol)diborane

2-fluoro-4-bromobenzoic acid

2-fluoro-N,N-dimethyl-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide

Downstream raw materials:

(5S)-2-[4-(dimethylaminocarbonyl)-3-fluorophenyl]-α,α-dimethyl-N-(1,3,4-thiadiazol-2-yl)-5H-[1]benzopyrano[2,3-b]pyridin-5-acetamide

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