3-Acetylbenzenesulfonamide

Base Information

• Chemical Name: 3-Acetylbenzenesulfonamide
• CAS No.: 35203-88-4
• Molecular Formula: C8H9 N O3 S
• Molecular Weight: 199.23
• Hs Code.: 2935009090
• European Community (EC) Number: 839-977-0
• DSSTox Substance ID: DTXSID80504576
• Nikkaji Number: J409.570G
• Wikidata: Q82359164
• Mol file: 35203-88-4.mol

Synonyms:3-acetylbenzenesulfonamide;35203-88-4;3-acetylbenzene-1-sulfonamide;MFCD06409181;Benzenesulfonamide, 3-acetyl- (9CI);SCHEMBL3347957;DTXSID80504576;ZLZNHLVBJWGUCV-UHFFFAOYSA-N;AKOS000145144;BS-16613;SY178612;CS-0155109;FT-0757050;EN300-39410;D82857;Z45415590

Chemical Property of 3-Acetylbenzenesulfonamide

Chemical Property:

• PSA: 85.61000
• LogP: 2.31770
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 199.03031432
• Heavy Atom Count: 13
• Complexity: 291

Purity/Quality:

98% ^*data from raw suppliers

3-acetylbenzene-1-sulfonamide ^*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)N

Technology Process of 3-Acetylbenzenesulfonamide

There total 3 articles about 3-Acetylbenzenesulfonamide 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: 63.0%

3-acetylbenzene sulphonyl fluoride → 3-aminosulphonylacetophenone (35203-88-4)

Guidance literature:

With ammonia; In tetrahydrofuran; hexane; water; ethyl acetate;

Reference yield:

1-(3-aminophenyl)ethanone (99-03-6) → 3-aminosulphonylacetophenone (35203-88-4)

Guidance literature:

Yield given. Multistep reaction;

DOI:10.1248/cpb.30.4092

Reference yield:

→ 3-aminosulphonylacetophenone (35203-88-4)

Guidance literature:

1-Acetyl-benzolsulfonsaeure-(3)-chlorid;

DOI:10.1021/jm00337a014

upstream raw materials:

1-(3-aminophenyl)ethanone

Downstream raw materials:

3-(2-bromoacetyl)benzenesulfonamide

Oxo-(3-sulfamoyl-phenyl)-acetic acid

3,3'-(2,2'-diazane-1,2-diyl-bis-thiazol-4-yl)-bis-benzenesulfonamide

N,N'-diacetyl-3,3'-[2,2'-(1,2-diacetyl-diazane-1,2-diyl)-bis-thiazol-4-yl]-bis-benzenesulfonamide

Refernces

• 1、 Fujikura,Miigata,Hashimoto,Imai,Takenaka. "Studies on benzenesulfonamide derivatives with α- and β-adrenergic antagonistic and antihypertensive activities". . p. 4092 - 4101. Retrieved 2007/10/02.