N-(2-ethylphenyl)benzenesulfonamide

Base Information

• Chemical Name: N-(2-ethylphenyl)benzenesulfonamide
• CAS No.: 84416-67-1
• Molecular Formula: C14H15NO2S
• Molecular Weight: 261.345
• DSSTox Substance ID: DTXSID30356385
• Wikidata: Q82135693
• Mol file: 84416-67-1.mol

Synonyms:N-(2-ethylphenyl)benzenesulfonamide;84416-67-1;Oprea1_443582;Oprea1_551156;SCHEMBL10272404;DTXSID30356385;MFCD00586676;STK408466;AKOS000383205;AG-690/10029037

Chemical Property of N-(2-ethylphenyl)benzenesulfonamide

Chemical Property:

• PSA: 54.55000
• LogP: 4.20360
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 261.08234989
• Heavy Atom Count: 18
• Complexity: 341

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1=CC=CC=C1NS(=O)(=O)C2=CC=CC=C2

Technology Process of N-(2-ethylphenyl)benzenesulfonamide

There total 4 articles about N-(2-ethylphenyl)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: 96.0%

2-(phenylsulfonamido)phenyl-acetylene (84416-64-8) → 2-(phenylsulfonamido)-1-ethylbenzene (84416-67-1)

Guidance literature:

With hydrogen; palladium on activated charcoal; In ethanol; for 19h; under 2280 Torr;

DOI:10.1021/jo00152a041

Reference yield:

2-ethynylaniline (52670-38-9) → 2-(phenylsulfonamido)-1-ethylbenzene (84416-67-1)

Guidance literature:

Multi-step reaction with 2 steps

1: NaOH / H₂O / 1.) room temperature, 2h, 2.) 40 deg C, 20 min.

2: 96 percent / H₂ / Pd/C / ethanol / 19 h / 2280 Torr

With sodium hydroxide; hydrogen; palladium on activated charcoal; In ethanol; water;

DOI:10.1021/jo00152a041

Reference yield:

C8H4KLi (79092-33-4) → 2-(phenylsulfonamido)-1-ethylbenzene (84416-67-1)

Guidance literature:

Multi-step reaction with 3 steps

1: 5 percent / methoxylamine / -50 °C

2: NaOH / H₂O / 1.) room temperature, 2h, 2.) 40 deg C, 20 min.

3: 96 percent / H₂ / Pd/C / ethanol / 19 h / 2280 Torr

With O-Methylhydroxylamin; sodium hydroxide; hydrogen; palladium on activated charcoal; In ethanol; water;

DOI:10.1021/jo00152a041

upstream raw materials:

2-(phenylsulfonamido)phenyl-acetylene

2-ethynylaniline

C₈H₄KLi

ortho-ethylaniline