N-(2-bromoethyl)-4-fluorobenzenesulfonamide

Base Information

• Chemical Name: N-(2-bromoethyl)-4-fluorobenzenesulfonamide
• CAS No.: 51983-24-5
• Molecular Formula: C8H9BrFNO2S
• Molecular Weight: 282.1299632
• Hs Code.: 2935009090
• DSSTox Substance ID: DTXSID60381529
• Wikidata: Q82172415
• Mol file: 51983-24-5.mol

Synonyms:N-(2-bromoethyl)-4-fluorobenzenesulfonamide;51983-24-5;n-(2-bromo-ethyl)-4-fluoro-benzenesulfonamide;n1-(2-bromoethyl)-4-fluorobenzene-1-sulfonamide;SCHEMBL1148907;DTXSID60381529;FOIQBZWKLXWNHH-UHFFFAOYSA-N;1-(2-bromo-ethyl)-4-fluorobenzene;AKOS009158775;FS-5525

Chemical Property of N-(2-bromoethyl)-4-fluorobenzenesulfonamide

Chemical Property:

• Boiling Point: 354.4±52.0 °C(Predicted)
• PKA: 9.84±0.50(Predicted)
• PSA: 54.55000
• Density: 1.622±0.06 g/cm3(Predicted)
• LogP: 2.97060
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 280.95214
• Heavy Atom Count: 14
• Complexity: 257

Purity/Quality:

99% ^*data from raw suppliers

N-(2-BROMOETHYL)-4-FLUOROBENZENESULFONAMIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1F)S(=O)(=O)NCCBr

Technology Process of N-(2-bromoethyl)-4-fluorobenzenesulfonamide

There total 2 articles about N-(2-bromoethyl)-4-fluorobenzenesulfonamide 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-Fluorobenzenesulfonyl chloride (349-88-2) + 2-bromoethylamine hydrobromide (2576-47-8) → N-(2-bromo-ethyl)-4-fluoro-benzenesulfonamide (51983-24-5)

Guidance literature:

With triethylamine; In dichloromethane; at 0 - 20 ℃; for 1h;

Reference yield:

2-bromoethylamine (107-09-5) + 4-Fluorobenzenesulfonyl chloride (349-88-2) → N-(2-bromo-ethyl)-4-fluoro-benzenesulfonamide (51983-24-5)

Guidance literature:

With triethylamine; In dichloromethane; at 20 ℃; for 5h; Inert atmosphere;

DOI:10.1016/j.bmc.2019.115142

Reference yield:

N-(2-bromo-ethyl)-4-fluoro-benzenesulfonamide (51983-24-5) → 1-(4-fluoro-benzenesulfonyl)-aziridine (51983-29-0)

Guidance literature:

With potassium hydroxide; In water; toluene; at 20 ℃; for 1.5h;

DOI:10.1016/j.bmc.2019.115142

upstream raw materials:

4-Fluorobenzenesulfonyl chloride

2-bromoethylamine hydrobromide

2-bromoethylamine

Downstream raw materials:

1-(4-fluoro-benzenesulfonyl)-aziridine

Refernces

• 1、 -. "NOVEL OXABISPIDINE COMPOUNDS AND THEIR USE IN THE TREATMENT OF CARDIAC ARRHYTHMIAS". Page/Page column 77. . Retrieved 2008/06/13.