N-(4-acetylphenyl)methanesulfonamide

Base Information

• Chemical Name: N-(4-acetylphenyl)methanesulfonamide
• CAS No.: 5317-89-5
• Molecular Formula: C9H11NO3S
• Molecular Weight: 213.257
• Hs Code.: 2935009090
• European Community (EC) Number: 637-303-8
• DSSTox Substance ID: DTXSID90350607
• Nikkaji Number: J1.711.924I
• Wikidata: Q72435672
• Mol file: 5317-89-5.mol

Synonyms:N-(4-acetylphenyl)methanesulfonamide;5317-89-5;N-(4-Acetyl-phenyl)-methanesulfon-amide;4'-acetylmethanesulfonanilide;MFCD00159342;SCHEMBL4624606;DTXSID90350607;BQBFGIIQPXLTKM-UHFFFAOYSA-N;4'-(Methylsulfonylamino)acetophenone;CCG-52886;STK501218;N-(4-acetyl-phenyl)methanesulfonamide;AKOS000167466;DS-3007;N-(4-acetyl-phenyl)-methanesulfonamide;SB79022;CS-0071993;EU-0069270;FT-0752301;EN300-60176;C75490;A870800;SR-01000410272;SR-01000410272-1;SR-01000410272-2;Z45615415;F0405-2509

Chemical Property of N-(4-acetylphenyl)methanesulfonamide

Chemical Property:

• Vapor Pressure: 1.19E-05mmHg at 25°C
• Melting Point: 150-152 °C
• Refractive Index: 1.573
• Boiling Point: 369.4 °C at 760 mmHg
• PKA: 7.16±0.10(Predicted)
• Flash Point: 177.2 °C
• PSA: 71.62000
• Density: 1.32 g/cm³
• LogP: 2.41450
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 213.04596439
• Heavy Atom Count: 14
• Complexity: 297

Purity/Quality:

99%, ^*data from raw suppliers

N-(4-Acetylphenyl)methanesulfonamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of N-(4-acetylphenyl)methanesulfonamide

There total 7 articles about N-(4-acetylphenyl)methanesulfonamide 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: 100.0%

p-aminobenzophenone (99-92-3) + methanesulfonyl chloride (124-63-0) → 4'-(methylsulfonylamino)acetophenone (5317-89-5)

Guidance literature:

With pyridine; In dichloromethane; at 0 - 20 ℃; for 23h; Inert atmosphere;

DOI:10.3109/14756366.2013.864650

Reference yield: 96.0%

methanesulfonamide (3144-09-0) + para-bromoacetophenone (99-90-1) → 4'-(methylsulfonylamino)acetophenone (5317-89-5)

Guidance literature:

With potassium phosphate; copper(l) iodide; dimethylaminoacetic acid; In N,N-dimethyl-formamide; for 48h; Heating;

DOI:10.1016/j.tetlet.2005.08.149

Reference yield: 12.0%

N-(4-acetylphenyl)-N-(methylsulfonyl)methanesulfonamide (187831-02-3) → 1-[4-amino-3-(methylsulfonyl) phenyl] ethanone + 4'-(methylsulfonylamino)acetophenone (5317-89-5) + 4-methanesulfonylphenylamine (5470-49-5) + p-aminobenzophenone (99-92-3)

Guidance literature:

In acetonitrile; for 24h; Inert atmosphere; Irradiation;

DOI:10.1002/chem.201603522

upstream raw materials:

p-aminobenzophenone

methanesulfonyl chloride

N-phenylmethanesulfonamide

acetic anhydride

Downstream raw materials:

N-[4-(2-bromoacetyl)phenyl]methanesulfonamide

Refernces

• 1、 El-Hussieny, Marwa,El-Sayed, Naglaa F.,Fouad, Marwa A.,Ewies, Ewies F.. "Synthesis, biological evaluation and molecular docking of new sulfonamide-based indolinone derivatives as multitargeted kinase inhibitors against leukemia". . . Retrieved 2021/10/20.
• 2、 Li, Ridong,Ning, Xianling,Zhou, Shuo,Lin, Zhiqiang,Wu, Xingyu,Chen, Hong,Bai, Xinyu,Wang, Xin,Ge, Zemei,Li, Runtao,Yin, Yuxin. "Discovery and structure-activity relationship of novel 4-hydroxy-thiazolidine-2-thione derivatives as tumor cell specific pyruvate kinase M2 activators". . p. 48 - 65. Retrieved 2017/11/23.