4-Acetyl-N-(propan-2-YL)benzene-1-sulfonamide

Base Information

• Chemical Name: 4-Acetyl-N-(propan-2-YL)benzene-1-sulfonamide
• CAS No.: 778592-00-0
• Molecular Formula: C₁₁H₁₅NO₃S
• Molecular Weight: 241.311
• DSSTox Substance ID: DTXSID00427450
• Wikidata: Q82240110
• Mol file: 778592-00-0.mol

Synonyms:4-ISOPROPYLSULFAMYL-ACETOPHENONE;778592-00-0;4-ACETYL-N-(PROPAN-2-YL)BENZENE-1-SULFONAMIDE;4-acetyl-N-propan-2-ylbenzenesulfonamide;4-ACETYL-N-ISOPROPYLBENZENESULFONAMIDE;SCHEMBL12376738;DTXSID00427450;AKOS008938964;Z45497623

Chemical Property of 4-Acetyl-N-(propan-2-YL)benzene-1-sulfonamide

Chemical Property:

• Vapor Pressure: 4.81E-06mmHg at 25°C
• Refractive Index: 1.521
• Boiling Point: 382.2°C at 760 mmHg
• Flash Point: 184.9°C
• PSA: 71.62000
• Density: 1.177g/cm³
• LogP: 3.04760
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 241.07726451
• Heavy Atom Count: 16
• Complexity: 335

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)NS(=O)(=O)C1=CC=C(C=C1)C(=O)C

Technology Process of 4-Acetyl-N-(propan-2-YL)benzene-1-sulfonamide

There total 1 articles about 4-Acetyl-N-(propan-2-YL)benzene-1-sulfonamide 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: 99.0%

4-Acetylbenzenesulfonyl chloride (1788-10-9) + isopropylamine (75-31-0) → 4-acetyl-N-isopropylbenzenesulfonamide (778592-00-0)

Guidance literature:

With triethylamine; In dichloromethane; at -5 - 20 ℃;

DOI:10.1016/j.tetlet.2017.06.053

Reference yield:

4-acetyl-N-isopropylbenzenesulfonamide (778592-00-0) → tert-butyl 5-acetyl-2-[(isopropylamino)sulfonyl]benzoate

Guidance literature:

Multi-step reaction with 2 steps

1: dmap; pyridine / 20 °C

2: lithium diisopropyl amide / tetrahydrofuran; hexane / -78 °C

With pyridine; dmap; lithium diisopropyl amide; In tetrahydrofuran; hexane;

DOI:10.1016/j.tetlet.2017.06.053

upstream raw materials:

4-Acetylbenzenesulfonyl chloride

isopropylamine