2-bromo-N-methylbenzenesulfonamide

Base Information

• Chemical Name: 2-bromo-N-methylbenzenesulfonamide
• CAS No.: 98192-14-4
• Molecular Formula: C7H8BrNO2S
• Molecular Weight: 250.116
• Hs Code.: 2935009090
• European Community (EC) Number: 689-870-6
• DSSTox Substance ID: DTXSID10357310
• Wikidata: Q82137184
• ChEMBL ID: CHEMBL4764402
• Mol file: 98192-14-4.mol

Synonyms:2-bromo-N-methylbenzenesulfonamide;98192-14-4;2-Bromo-N-methylbenzenesulphonamide;2-bromo-N-methyl-benzenesulfonamide;2-bromo-N-methylbenzene-1-sulfonamide;N-Methyl 2-bromobenzenesulphonamide;SCHEMBL1291097;CHEMBL4764402;DTXSID10357310;HSCKMNXETNFFAJ-UHFFFAOYSA-N;MFCD03084756;AKOS001298242;BS-18282;CS-0150987;EN300-77351;D83874;A845826;Z45527738

Chemical Property of 2-bromo-N-methylbenzenesulfonamide

Chemical Property:

• Vapor Pressure: 7.8E-05mmHg at 25°C
• Refractive Index: 1.574
• Boiling Point: 341.9 °C at 760mmHg
• Flash Point: 160.6 °C
• PSA: 54.55000
• Density: 1.601 g/cm³
• LogP: 2.82890
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 248.94591
• Heavy Atom Count: 12
• Complexity: 234

Purity/Quality:

98%Min ^*data from raw suppliers

2-Bromo-N-methylbenzenesulfonamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CNS(=O)(=O)C1=CC=CC=C1Br

Technology Process of 2-bromo-N-methylbenzenesulfonamide

There total 9 articles about 2-bromo-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%

o-bromobenzenesulfonyl chloride (2905-25-1) + methylamine (74-89-5) → 2-bromo-N-methylbenzenesulfonamide (98192-14-4)

Guidance literature:

In ethanol; for 2h; Reflux;

DOI:10.1055/s-0035-1561288

Reference yield: 96.89%

o-bromobenzenesulfonyl chloride (2905-25-1) + methylamine hydrochloride (593-51-1) → 2-bromo-N-methylbenzenesulfonamide (98192-14-4)

Guidance literature:

With triethylamine; In dichloromethane; at 20 ℃; for 10h; Cooling with ice;

Reference yield: 75.0%

methyl(phenylsulfonyl)amide (5183-78-8) → 2-bromo-N-methylbenzenesulfonamide (98192-14-4)

Guidance literature:

With N-Bromosuccinimide; silver hexafluoroantimonate; trifluorormethanesulfonic acid; nickel diacetate; In 1,2-dichloro-ethane; at 80 ℃; for 12h; regioselective reaction;

DOI:10.1039/C8NJ06023A

upstream raw materials:

o-bromobenzenesulfonyl chloride

methylamine

2-bromobenzoic acid chloride

2-amino-1-benzenesulfonic acid

Downstream raw materials:

N-allyl-2-bromo-N-methylbenzenesulfonamide

4-benzylidene-2-methyl-3,4-dihydro-2H-benzo[e][1,2]thiazine-1,1-dioxide

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、 Che, Shiying,Zhu, Qiao,Luo, Zhenghong,Lian, Yan,Zhao, Zijian. "Copper-catalyzed oxidative methylation of sulfonamides by dicumyl peroxide". . p. 935 - 942. Retrieved 2021/01/05.