N-(4-bromophenyl)ethanesulfonamide

Base Information

• Chemical Name: N-(4-bromophenyl)ethanesulfonamide
• CAS No.: 57616-20-3
• Molecular Formula: C8H10BrNO2S
• Molecular Weight: 264.143
• DSSTox Substance ID: DTXSID90354261
• Wikidata: Q82132303
• Mol file: 57616-20-3.mol

Synonyms:N-(4-bromophenyl)ethanesulfonamide;57616-20-3;N-(4-bromophenyl)ethane-1-sulfonamide;SCHEMBL4598881;DTXSID90354261;AKOS000194805;BS-34076;AN-652/33900060

Chemical Property of N-(4-bromophenyl)ethanesulfonamide

Chemical Property:

• PSA: 54.55000
• LogP: 3.36450
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 262.96156
• Heavy Atom Count: 13
• Complexity: 239

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCS(=O)(=O)NC1=CC=C(C=C1)Br

Technology Process of N-(4-bromophenyl)ethanesulfonamide

There total 2 articles about N-(4-bromophenyl)ethanesulfonamide 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: 92.0%

4-bromo-aniline (106-40-1) + Ethanesulfonyl chloride (594-44-5) → ethanesulfonic acid-(4-bromo-anilide) (57616-20-3)

Guidance literature:

With pyridine; at 20 ℃; for 2h;

Reference yield:

N-phenyl-S-ethylsulfonamide (2225-19-6) → ethanesulfonic acid-(4-bromo-anilide) (57616-20-3)

Guidance literature:

With bromine;

Reference yield: 97.0%

ethanesulfonic acid-(4-bromo-anilide) (57616-20-3) + N-boc-2-pyrroleboronic acid (135884-31-0) → Tert-butyl 2-{4-[(ethylsulfonyl)amino]phenyl}-1H-pyrrole-1-carboxylate (922506-10-3)

Guidance literature:

With sodium carbonate; tetrakis(triphenylphosphine) palladium⁽⁰⁾; In 1,2-dimethoxyethane; for 4h; Heating / reflux;

upstream raw materials:

N-phenyl-S-ethylsulfonamide

4-bromo-aniline

Ethanesulfonyl chloride

Downstream raw materials:

Tert-butyl 2-{4-[(ethylsulfonyl)amino]phenyl}-1H-pyrrole-1-carboxylate

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