5-Acetyl-2-methylbenzenesulfonamide

Base Information

• Chemical Name: 5-Acetyl-2-methylbenzenesulfonamide
• CAS No.: 70958-70-2
• Molecular Formula: C9H11NO3S
• Molecular Weight: 213.25400
• Hs Code.: 2935009090
• DSSTox Substance ID: DTXSID40504577
• Nikkaji Number: J135.035H
• Wikidata: Q82359165
• Mol file: 70958-70-2.mol

Synonyms:5-ACETYL-2-METHYLBENZENESULFONAMIDE;70958-70-2;5-acetyl-2-methylbenzene-1-sulfonamide;Benzenesulfonamide, 5-acetyl-2-methyl-;SCHEMBL9243497;DTXSID40504577;FOBJXKVZKYRFOO-UHFFFAOYSA-N;AKOS013154014;SB79525;FT-0731069;EN300-124730;Z1160860131

Chemical Property of 5-Acetyl-2-methylbenzenesulfonamide

Chemical Property:

• PSA: 85.61000
• LogP: 2.62610
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 213.04596439
• Heavy Atom Count: 14
• Complexity: 317

Purity/Quality:

99% ^*data from raw suppliers

5-Acetyl-2-methylbenzenesulfonamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=C(C=C1)C(=O)C)S(=O)(=O)N

Technology Process of 5-Acetyl-2-methylbenzenesulfonamide

There total 3 articles about 5-Acetyl-2-methylbenzenesulfonamide 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:

5-acetyl-2-methylbenzene-1-sulfonyl chloride (73035-17-3) → 5-acetyl-2-methylbenzenesulfonamide (70958-70-2)

Guidance literature:

With ammonium hydroxide; In tetrahydrofuran; Yield given; Ambient temperature;

DOI:10.1248/cpb.30.4092

Reference yield:

1-(3-amino-4-methylphenyl)ethanone (17071-24-8) → 5-acetyl-2-methylbenzenesulfonamide (70958-70-2)

Guidance literature:

Multi-step reaction with 2 steps

1: 1.) NaNO₂, cc HCl 2.) CuCl₂*2H₂O, SO₂ / 1.) AcOH, 5 deg C, 30 min 2.) AcOH, 0-5 deg C

2: cc NH₄OH / tetrahydrofuran / Ambient temperature

With hydrogenchloride; ammonium hydroxide; sulfur dioxide; sodium nitrite; In tetrahydrofuran;

DOI:10.1248/cpb.30.4092

Reference yield:

→ 5-acetyl-2-methylbenzenesulfonamide (70958-70-2)

Guidance literature:

entspr. Chlorsulfonylderivat, NH3;

upstream raw materials:

5-acetyl-2-methylbenzene-1-sulfonyl chloride

1-(3-amino-4-methylphenyl)ethanone

Downstream raw materials:

5-((2-Bromo-1-oxo)ethyl)-2-methylbenzenesulfonamide

5-{1-Hydroxy-2-[2-(2-methoxyphenoxy)-1-methylethylamino]-ethyl}-2-methylbenzenesulfonamide

5-{2-[Benzyl-(1-methyl-2-phenoxy-ethyl)-amino]-1-hydroxy-ethyl}-2-methyl-benzenesulfonamide

5-{2-[Benzyl-(1-methyl-3-phenyl-propyl)-amino]-1-hydroxy-ethyl}-2-methoxy-benzenesulfonamide