4-(N,N-DIMETHYLSULPHONAMIDO)BENZENEBORONIC ACID

Base Information

• Chemical Name: 4-(N,N-DIMETHYLSULPHONAMIDO)BENZENEBORONIC ACID
• CAS No.: 486422-59-7
• Molecular Formula: C8H12 B N O4 S
• Molecular Weight: 229.065
• Hs Code.: 2935009090
• Mol file: 486422-59-7.mol

Synonyms:Boronicacid, [4-[(dimethylamino)sulfonyl]phenyl]- (9CI);4-[(Dimethylamino)sulfonyl]benzeneboronic acid;[4-(N,N-Dimethylaminosulfonyl)phenyl]boronic acid;[4-(N,N-Dimethylsulfamoyl)phenyl]boronic acid;[4-[(Dimethylamino)sulfonyl]phenyl]boronic acid

Chemical Property of 4-(N,N-DIMETHYLSULPHONAMIDO)BENZENEBORONIC ACID

Chemical Property:

• Vapor Pressure: 1.86E-07mmHg at 25°C
• Melting Point: 140-144
• Boiling Point: 410°Cat760mmHg
• PKA: 7.39±0.10(Predicted)
• Flash Point: 201.7°C
• PSA: 86.22000
• Density: 1.37g/cm³
• LogP: -0.30250
• Storage Temp.: Keep Cold

Purity/Quality:

98%,99%, ^*data from raw suppliers

4-(N,N-Dimethylsulfonamido)benzeneboronic acid 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 4-(N,N-DIMETHYLSULPHONAMIDO)BENZENEBORONIC ACID

There total 3 articles about 4-(N,N-DIMETHYLSULPHONAMIDO)BENZENEBORONIC 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: 91.0%

N,N-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzene-1-sulfonamide (486422-04-2) + water (7732-18-5) → {4-[(dimethylamino)sulfonyl]phenyl}boronic acid (486422-59-7)

Guidance literature:

N,N-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzene-1-sulfonamide; With sodium periodate; In tetrahydrofuran; water; at 0 - 20 ℃; for 0.583333h;

water; With hydrogenchloride; In tetrahydrofuran; at 20 ℃; for 1h;

Reference yield:

4-bromobenzenesulfonyl chloride (98-58-8) → {4-[(dimethylamino)sulfonyl]phenyl}boronic acid (486422-59-7)

Guidance literature:

Multi-step reaction with 3 steps

1.1: water; tetrahydrofuran / 1.08 h / 5 - 20 °C

2.1: potassium acetate; dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH₂Cl₂ / 1,4-dioxane / 16 h / 80 °C / Inert atmosphere

3.1: sodium periodate / water; tetrahydrofuran / 0.58 h / 0 - 20 °C

3.2: 1 h / 20 °C

With sodium periodate; dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH₂Cl₂; potassium acetate; In tetrahydrofuran; 1,4-dioxane; water;

Reference yield:

→ {4-[(dimethylamino)sulfonyl]phenyl}boronic acid (486422-59-7)

Guidance literature:

upstream raw materials:

4-bromobenzenesulfonyl chloride

N,N-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzene-1-sulfonamide

water

Downstream raw materials:

C₂₆H₃₁N₅O₄S₂

C₂₂H₂₃N₅O₄S₂

C₁₄H₁₃ClN₄O₂S

C₂₂H₂₀ClN₃O₄S₂

Refernces

• 1、 -. "New phenylpyridylpiperazine compounds". Page/Page column 8. . Retrieved 2008/06/13.