N-Methylbenzenesulfonamide

Base Information

• Chemical Name: N-Methylbenzenesulfonamide
• CAS No.: 5183-78-8
• Molecular Formula: C7H9NO2S
• Molecular Weight: 171.22
• Hs Code.: 2935009090
• European Community (EC) Number: 225-965-7
• NSC Number: 15404
• UNII: F6Z99246JX
• DSSTox Substance ID: DTXSID0063731
• Nikkaji Number: J150.163A
• Wikidata: Q81990976
• Mol file: 5183-78-8.mol

Synonyms:N-Methylbenzenesulfonamide;5183-78-8;Benzenesulfonamide, N-methyl-;N-Methylbenzenesulphonamide;N-(Phenylsulfonyl)methanamine;AI3-03812;EINECS 225-965-7;NSC-15404;NSC15404;N-methylphenylsulfonamide;n-methylbenzene sulfonamide;N-methyl benzenesulphonamide;Benzenesulfonyl-N-methylamide;SCHEMBL18580;N-methyl-4-benzenesulfonamide;benzenesulfonic acid methylamide;Benzenesulphonamide, N-methyl-;DTXSID0063731;N-Methylbenzenesulfonamide, 95%;SVDVKEBISAOWJT-UHFFFAOYSA-;F6Z99246JX;MFCD00025023;NSC 15404;AKOS000200496;AS-58661;CS-0213069;FT-0635572;M0157;EN300-15845;A871150;Z45527650

Chemical Property of N-Methylbenzenesulfonamide

Chemical Property:

• Vapor Pressure: 0.00305mmHg at 25°C
• Melting Point: 31 °C
• Refractive Index: 1.538
• Boiling Point: 284 °C at 760 mmHg
• PKA: 11.43±0.30(Predicted)
• Flash Point: 125.6 °C
• PSA: 54.55000
• Density: 1.222 g/cm³
• LogP: 2.06640
• Water Solubility.: It is soluble in water.
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 171.03539970
• Heavy Atom Count: 11
• Complexity: 199

Purity/Quality:

98%,99%, ^*data from raw suppliers

N-Methylbenzenesulfonamide >98.0%(GC) ^*data from reagent suppliers

Safty Information:

• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CNS(=O)(=O)C1=CC=CC=C1
• Uses: N-Methylbenzenesulfonamide, is used as an intermediate in industry.

Technology Process of N-Methylbenzenesulfonamide

There total 55 articles about N-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: 99.0%

benzenesulfonyl chloride (98-09-9) + methylamine (74-89-5) → methyl(phenylsulfonyl)amide (5183-78-8)

Guidance literature:

With N-ethyl-N,N-diisopropylamine; In dichloromethane; at 20 ℃; Inert atmosphere; Schlenk technique;

DOI:10.1002/ejoc.202100955

Reference yield: 92.0%

succinic acid anhydride (108-30-5) + benzenesulfonamide (98-10-2) + methyl iodide (74-88-4) → methyl(phenylsulfonyl)amide (5183-78-8)

Guidance literature:

Multistep reaction.;

DOI:10.1021/ol0163124

Reference yield: 82.0%

→ methyl(phenylsulfonyl)amide (5183-78-8)

Guidance literature:

upstream raw materials:

benzenesulfonyl-benzoyl-methyl-amine

aniline

benzenesulfonyl chloride

methylamine

Downstream raw materials:

N,N'-bis-benzenesulfonyl-N,N'-dimethyl-oxalamide

N,N'-dimethylbenzoamidine

N-Chlorsulfonyl-N'-methyl-N'-phenylsulfonylharnstoff

N-methylsaccharin

Refernces

• 1、 Liu, Aiyun,Guo, Tiantian,Zhang, Shuangshuang,Yang, Han,Zhang, Qi,Chai, Yonghai,Zhang, Shengyong. "Structurally Diverse Synthesis of Five-, Six-, and Seven-Membered Benzosultams through Electrochemical Cyclization". supporting information. p. 6326 - 6331. Retrieved 2021/08/23.
• 2、 Ball, Zachary T.,Ding, Yuxuan,Miller, Mary K.,Swierczynski, Michael J.. "Boronic Acid Pairs for Sequential Bioconjugation". supporting information. p. 5334 - 5338. Retrieved 2021/07/26.