Benzenesulfonyl chloride, 4-(acetylamino)-2-methyl-

Base Information

• Chemical Name: Benzenesulfonyl chloride, 4-(acetylamino)-2-methyl-
• CAS No.: 62374-67-8
• Molecular Formula: C9H10ClNO3S
• Molecular Weight: 247.702
• Hs Code.: 2924299090
• European Community (EC) Number: 673-844-6
• DSSTox Substance ID: DTXSID3069564
• Nikkaji Number: J1.622.308E
• Wikidata: Q81996489
• Mol file: 62374-67-8.mol

Synonyms:62374-67-8;Benzenesulfonyl chloride, 4-(acetylamino)-2-methyl-;4-acetamido-2-methylbenzene-1-sulfonyl chloride;4-acetamido-2-methylbenzenesulfonyl chloride;4-acetylamino-2-methyl-benzenesulfonyl chloride;4-(acetylamino)-2-methylbenzenesulfonyl chloride;4-Acetylamino-2-methylbenzenesulfonyl chloride;SCHEMBL539699;DTXSID3069564;BBL021910;MFCD04117318;STK894627;AKOS000129044;BS-29052;4-Acetylamino-2-methylbenzenesulfonylchloride;4-acetylamino-2-methylphenylsulfonyl chloride;EN300-173195;4-acetylamino-2-methyl-benzenesulphonyl chloride;A917525;F2184-0224;4-acetylamino-2-methyl-benzenesulfonyl chloride, AldrichCPR

Chemical Property of Benzenesulfonyl chloride, 4-(acetylamino)-2-methyl-

Chemical Property:

• Vapor Pressure: 2.41E-07mmHg at 25°C
• Boiling Point: 422.4°Cat760mmHg
• Flash Point: 209.3°C
• PSA: 75.11000
• Density: 1.411g/cm³
• LogP: 3.61120
• 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:

97% ^*data from raw suppliers

4-Acetamido-2-methylbenzene-1-sulfonyl chloride 95%+ ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=CC(=C1)NC(=O)C)S(=O)(=O)Cl

Technology Process of Benzenesulfonyl chloride, 4-(acetylamino)-2-methyl-

There total 4 articles about Benzenesulfonyl chloride, 4-(acetylamino)-2-methyl- 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: 89.0%

3-Methylacetanilide (537-92-8) → 4-acetamino-2-methyl-benzenesulfonyl chloride (62374-67-8)

Guidance literature:

With chlorosulfonic acid; at 60 ℃; for 2h;

Reference yield:

4-acetamino-2-methyl-phenylsulfonicacid pyridinium salt → 4-acetamino-2-methyl-benzenesulfonyl chloride (62374-67-8)

Guidance literature:

With thionyl chloride; In N,N-dimethyl-formamide; for 0.166667h;

Reference yield:

4-amino-2-methylbenzenesulphonic acid (133-78-8) → 4-acetamino-2-methyl-benzenesulfonyl chloride (62374-67-8)

Guidance literature:

Multi-step reaction with 2 steps

1: 66.4 percent

2: SOCl₂ / dimethylformamide / 0.17 h

With thionyl chloride; In N,N-dimethyl-formamide;

upstream raw materials:

3-Methylacetanilide

4-amino-2-methylbenzenesulphonic acid

Downstream raw materials:

5(acetamido)-2-methyl-benzenesulfonamide

4-amino-2-methylbenzenesulfonamide

4-acetamino-2-methyl-benzenesulfinic acid

5-benzoylamino-toluene-2-sulfonic acid amide

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