5-Acetamido-2-methylbenzenesulphonyl chloride

Base Information

• Chemical Name: 5-Acetamido-2-methylbenzenesulphonyl chloride
• CAS No.: 13632-07-0
• Molecular Formula: C9H10 Cl N O3 S
• Molecular Weight: 247.702
• Hs Code.: 2924299090
• European Community (EC) Number: 237-118-9
• DSSTox Substance ID: DTXSID80159762
• Nikkaji Number: J277.965J
• Wikidata: Q83028136
• Mol file: 13632-07-0.mol

Synonyms:13632-07-0;5-acetamido-2-methylbenzenesulfonyl chloride;5-Acetamido-2-methylbenzenesulphonyl chloride;5-Acetamido-2-methylbenzene-1-sulfonyl chloride;5-(acetylamino)-2-methylbenzenesulfonyl chloride;5-Acetylamino-2-methyl-benzenesulfonyl chloride;Benzenesulfonyl chloride, 5-(acetylamino)-2-methyl-;EINECS 237-118-9;SCHEMBL6771522;DTXSID80159762;AKOS000123058;5-acetamido-2-methylbenzenesulphonylchloride;CS-0225511;EN300-12409

Chemical Property of 5-Acetamido-2-methylbenzenesulphonyl chloride

Chemical Property:

• Vapor Pressure: 8.79E-08mmHg at 25°C
• Melting Point: 120-124 °C
• Boiling Point: 435.4°Cat760mmHg
• PKA: 14.09±0.70(Predicted)
• Flash Point: 217.1°C
• PSA: 71.62000
• Density: 1.411g/cm³
• LogP: 3.03470
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 247.0069920
• Heavy Atom Count: 15
• Complexity: 336

Purity/Quality:

98%min ^*data from raw suppliers

5-(Acetylamino)-2-methylbenzenesulfonylChloride ^*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)NC(=O)C)S(=O)(=O)Cl

Technology Process of 5-Acetamido-2-methylbenzenesulphonyl chloride

There total 4 articles about 5-Acetamido-2-methylbenzenesulphonyl 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: 77.0%

4-Methylacetanilide (103-89-9) → N-(4-methyl 3-methylsulfonylbenzene)acetamide (13632-07-0)

Guidance literature:

With chlorosulfonic acid; at 0 - 100 ℃; for 2.16667h;

DOI:10.1016/j.bmc.2011.11.031

Reference yield: 11.0%

→ N-(4-methyl 3-methylsulfonylbenzene)acetamide (13632-07-0)

Guidance literature:

Reference yield:

→ N-(4-methyl 3-methylsulfonylbenzene)acetamide (13632-07-0)

Guidance literature:

With phosphorus pentachloride;

upstream raw materials:

4-Methylacetanilide

chlorosulfonic acid

Downstream raw materials:

4-methyl-3-(2,2,2-trifluoroethylthio)aniline

4-acetylamino-toluene-2-sulfinic acid

bis-(5-acetylamino-2-methyl-phenyl)-disulfide

acetic acid-(3-mercapto-4-methyl-anilide)