2-(N,N-dimethylsulphamoyl)benzeneboronic acid

Base Information

• Chemical Name: 2-(N,N-dimethylsulphamoyl)benzeneboronic acid
• CAS No.: 178432-25-2
• Molecular Formula: C8H12BNO4S
• Molecular Weight: 229.065
• Hs Code.: 2931900090
• DSSTox Substance ID: DTXSID20400700
• Wikidata: Q72472093
• Mol file: 178432-25-2.mol

Synonyms:178432-25-2;2-(N,N-dimethylsulphamoyl)benzeneboronic acid;2-(N,N-dimethylsulfamoyl)phenylboronic acid;2-(n,n-dimethylsulphamoyl)phenylboronic acid;N,N-DIMETHYL 2-BORONOBENZENESULFONAMIDE;[2-(dimethylsulfamoyl)phenyl]boronic Acid;(2-(N,N-Dimethylsulfamoyl)phenyl)boronic acid;Boronic acid, B-[2-[(dimethylamino)sulfonyl]phenyl]-;MFCD04039023;SCHEMBL1742559;DTXSID20400700;GCHDOHKUPJUTCB-UHFFFAOYSA-N;AMY11061;AKOS004116355;AB17275;AC-2951;PS-9445;SY003413;A3959;CS-0175065;FT-0600921;(2-(N,N-dimethylsulfamoyl) phenyl)boronic acid;J-506510;2-(N,N-dimethylsulphamoyl)benzeneboronic acid, AldrichCPR

Chemical Property of 2-(N,N-dimethylsulphamoyl)benzeneboronic acid

Chemical Property:

• Vapor Pressure: 0.0003mmHg at 25°C
• Refractive Index: 1.622
• Boiling Point: 428.5 °C at 760 mmHg
• PKA: 8.00±0.53(Predicted)
• Flash Point: 213 °C
• Density: 1.37 g/cm³
• Storage Temp.: 2-8°C
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 229.0580092
• Heavy Atom Count: 15
• Complexity: 298

Purity/Quality:

99% ^*data from raw suppliers

N,N-Dimethyl2-boronobenzenesulfonamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: B(C1=CC=CC=C1S(=O)(=O)N(C)C)(O)O
• Uses: suzuki reaction

Technology Process of 2-(N,N-dimethylsulphamoyl)benzeneboronic acid

There total 1 articles about 2-(N,N-dimethylsulphamoyl)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:

N,N-dimethylbenzenesulfonamide (14417-01-7) → (2-(N,N-dimethylsulfamoyl)phenyl)boronic acid (178432-25-2)

Guidance literature:

N,N-dimethylbenzenesulfonamide; With n-butyllithium; In diethyl ether; hexane; at -78 - 20 ℃; for 1h;

With hydrogenchloride; Triisopropyl borate; In diethyl ether; hexane; water; at -78 - 20 ℃;

Reference yield: 93.0%

5-bromo-2-furancarboxaldehyde (1899-24-7) + (2-(N,N-dimethylsulfamoyl)phenyl)boronic acid (178432-25-2) → 2-(5-formylfuran-2-yl)-N,N-dimethylbenzenesulfonamide

Guidance literature:

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; In ethanol; water; toluene; at 85 ℃; Schlenk technique; Inert atmosphere;

DOI:10.1021/acs.jmedchem.1c01810

Reference yield: 42.0%

(2-(N,N-dimethylsulfamoyl)phenyl)boronic acid (178432-25-2) + bradykinin (58-82-2) → C58H82N16O13S

Guidance literature:

With copper diacetate; In 2,2,2-trifluoroethanol; at 37 ℃; for 18h; pH=9; chemoselective reaction;

DOI:10.1039/d0sc02933e

upstream raw materials:

N,N-dimethylbenzenesulfonamide

Downstream raw materials:

2-(4-((3-chloro-4-((3-fluorobenzyl)oxy)phenyl)amino)-quinazolin-6-yl)-N,N-dimethylbenzenesulfonamide

C₂₂H₂₀ClN₃O₄S₂

Refernces