2-bromo-N-(furan-2-ylmethyl)benzenesulfonamide

Base Information

• Chemical Name: 2-bromo-N-(furan-2-ylmethyl)benzenesulfonamide
• CAS No.: 849056-66-2
• Molecular Formula: C₁₁H₁₀BrNO₃S
• Molecular Weight: 316.175
• Hs Code.: 2935009090
• DSSTox Substance ID: DTXSID50396667
• Wikidata: Q82197492
• ChEMBL ID: CHEMBL1391873
• Mol file: 849056-66-2.mol

Synonyms:2-bromo-N-(furan-2-ylmethyl)benzenesulfonamide;849056-66-2;2-Bromo-N-(fur-2-ylmethyl)benzenesulphonamide;MLS000518829;KUC101083N;CHEMBL1391873;DTXSID50396667;HMS2223N08;HMS3356L15;ZIB05666;MFCD07710748;AKOS008678647;SB61182;NCGC00166582-01;BS-22863;SMR000465103;CS-0205717;AB00035247-01;A841000;2-bromo-N-[(furan-2-yl)methyl]benzene-1-sulfonamide

Chemical Property of 2-bromo-N-(furan-2-ylmethyl)benzenesulfonamide

Chemical Property:

• Vapor Pressure: 6.71E-08mmHg at 25°C
• Refractive Index: 1.604
• Boiling Point: 438.8°C at 760 mmHg
• Flash Point: 219.2°C
• PSA: 67.69000
• Density: 1.583g/cm³
• LogP: 3.99230
• Storage Temp.: 2-8°C
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 314.95648
• Heavy Atom Count: 17
• Complexity: 341

Purity/Quality:

97% ^*data from raw suppliers

2-Bromo-N-(furan-2-ylmethyl)benzenesulfonamide ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)S(=O)(=O)NCC2=CC=CO2)Br

Technology Process of 2-bromo-N-(furan-2-ylmethyl)benzenesulfonamide

There total 1 articles about 2-bromo-N-(furan-2-ylmethyl)benzenesulfonamide 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:

furan-2-ylmethanamine (617-89-0) + o-bromobenzenesulfonyl chloride (2905-25-1) → C11H10BrNO3S (849056-66-2)

Guidance literature:

With triethylamine; In dichloromethane; at 20 ℃;

DOI:10.1039/C8CC04946G

Reference yield:

C11H10BrNO3S (849056-66-2) → (±)-3-methyl-1,2-benzisothiazoline 1,1-dioxide (84108-98-5)

Guidance literature:

Multi-step reaction with 3 steps

1: bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; triethylamine / tetrahydrofuran / 80 °C / Inert atmosphere

2: tetrabutyl ammonium fluoride / tetrahydrofuran / 1 h / 0 °C

3: bis(trifluoromethanesulfonyl)amide; triethylsilane / 1,2-dichloro-ethane / 50 °C

With triethylsilane; bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; tetrabutyl ammonium fluoride; bis(trifluoromethanesulfonyl)amide; triethylamine; In tetrahydrofuran; 1,2-dichloro-ethane;

DOI:10.1039/C8CC04946G

Reference yield:

C11H10BrNO3S (849056-66-2) → 2-ethynyl-N-(furan-2-ylmethyl)benzenesulfonamide

Guidance literature:

Multi-step reaction with 2 steps

1: bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; triethylamine / tetrahydrofuran / 80 °C / Inert atmosphere

2: tetrabutyl ammonium fluoride / tetrahydrofuran / 1 h / 0 °C

With bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; tetrabutyl ammonium fluoride; triethylamine; In tetrahydrofuran;

DOI:10.1039/C8CC04946G

upstream raw materials:

furan-2-ylmethanamine

o-bromobenzenesulfonyl chloride

Downstream raw materials:

(±)-3-methyl-1,2-benzisothiazoline 1,1-dioxide

Refernces