3-acetylbenzenesulfonyl Chloride

Base Information

• Chemical Name: 3-acetylbenzenesulfonyl Chloride
• CAS No.: 73035-16-2
• Molecular Formula: C8H7ClO3S
• Molecular Weight: 218.661
• Hs Code.: 2914700090
• European Community (EC) Number: 673-525-1
• DSSTox Substance ID: DTXSID50373317
• Wikidata: Q72434785
• Mol file: 73035-16-2.mol

Synonyms:3-acetylbenzenesulfonyl Chloride;73035-16-2;3-ACETYLBENZENE-1-SULFONYL CHLORIDE;3-Acetyl-benzenesulfonyl chloride;MFCD03424979;3-ACETYLBENZENESULFONYLCHLORIDE;Benzenesulfonylchloride, 3-acetyl-;3-acetyl benzenesulfonyl chloride;Benzenesulfonyl chloride, 3-acetyl-;m-chlorosulfonylacetophenone;SCHEMBL533063;3-acetylphenylsulfonyl chloride;DTXSID50373317;CGMBNEIGZOCPPP-UHFFFAOYSA-N;BBL100100;GEO-03453;STL302064;AKOS004121599;AB14569;BS-13741;3-Acetylbenzenesulfonyl chloride, AldrichCPR;FT-0758003;EN300-04283;J-640281;J-800280;Z96092006;F2169-1121

Chemical Property of 3-acetylbenzenesulfonyl Chloride

Chemical Property:

• Vapor Pressure: 5.54E-05mmHg at 25°C
• Melting Point: 43-45°C
• Refractive Index: 1.544
• Boiling Point: 347 °C at 760 mmHg
• Flash Point: 163.7 °C
• PSA: 59.59000
• Density: 1.387g/cm³
• LogP: 2.89750
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Sensitive.: Moisture Sensitive
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 217.9804429
• Heavy Atom Count: 13
• Complexity: 291

Purity/Quality:

98%Min ^*data from raw suppliers

3-Acetylbenzene-1-sulfonylChloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C1=CC(=CC=C1)S(=O)(=O)Cl
• Uses: Classical acetamidomalonate addition/decarboxylative hydrolysis as the key step for the generation of the amino acidic moiety starting from 4-ethylsulfonyl-α-bromoacetophenone prepared in two steps from commercially available 4-acetyl-benzenesulfonyl chloride. This then treated with sodium sulfite in basic aqueous conditions yielded the sodium sulfinate.

Technology Process of 3-acetylbenzenesulfonyl Chloride

There total 2 articles about 3-acetylbenzenesulfonyl Chloride 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: 32.3%

1-(3-aminophenyl)ethanone (99-03-6) → 3-acetylbenzene-1-sulfonyl chloride (73035-16-2)

Guidance literature:

1-(3-aminophenyl)ethanone; With hydrogenchloride; sodium nitrite; In water; at 0 ℃; for 0.5h; Inert atmosphere;

With sodium hydrogen sulfite; copper(II) sulfate; In water; at 0 ℃; for 1h; Inert atmosphere;

Reference yield:

→ 3-acetylbenzene-1-sulfonyl chloride (73035-16-2)

Guidance literature:

3-Amino-acetophenon 1. Diazotieren, wss. HCl 2. SO2 (in Eg. geloest), Ggw. v. Cu(II)-chlorid;

Reference yield: 100.0%

3-acetylbenzene-1-sulfonyl chloride (73035-16-2) + N,N',N'-trimethylenediamine (142-25-6) → 3-acetyl-N-[2-(dimethylamino)ethyl]-N-methylbenzenesulfonamide (1186422-04-7)

Guidance literature:

In tetrahydrofuran; for 18h;

upstream raw materials:

1-(3-aminophenyl)ethanone

Downstream raw materials:

1-(3-Acetyl-benzenesulfonyl)-5-ethoxy-pyrrolidin-2-one

3-(3-Acetyl-benzenesulfonyl)-5,5-diphenyl-oxazolidine-2,4-dione

1-[(3-acetylphenyl)sulfonyl]-5-phenyl-1H-pyrrole-3-carbaldehyde

3-acetyl-N,N-dimethylbenzenesulfonamide

Refernces

• 1、 -. "LOX ENZYME INHIBITING METHODS AND COMPOSITIONS". Paragraph 383-384. . Retrieved 2021/10/30.
• 2、 -. "Phenylenediamine urotensin-II receptor antagonists and CCR-9 antagonists". . . Retrieved 2008/06/13.