5-Bromo-2-methylbenzenesulfonamide

Base Information

• Chemical Name: 5-Bromo-2-methylbenzenesulfonamide
• CAS No.: 56919-16-5
• Molecular Formula: C7H8 Br N O2 S
• Molecular Weight: 250.116
• Hs Code.: 2935009090
• DSSTox Substance ID: DTXSID60368698
• Nikkaji Number: J1.336.262I
• Wikidata: Q82155442
• Mol file: 56919-16-5.mol

Synonyms:5-bromo-2-methylbenzenesulfonamide;56919-16-5;5-bromo-2-methylbenzene-1-sulfonamide;5-Bromo-2-methylbenzene sulfonamide;Benzenesulfonamide, 5-bromo-2-methyl-;SCHEMBL1346608;DTXSID60368698;FXNSWDXUWUJLLI-UHFFFAOYSA-N;2-Methyl-5-bromobenzenesulfonamide;HMS1735C16;AMY19050;5-Bromo-2-methyl-benzenesulfonamide;MFCD06368826;5-Bromo-2-methyl-benzene sulfonamide;AKOS008967685;BS-13566;5-bromo-2-methylbenzenesulfonic acid amide;CS-0213052;FT-0698613;EN300-11561;F83055;Z57050209

Chemical Property of 5-Bromo-2-methylbenzenesulfonamide

Chemical Property:

• Vapor Pressure: 2.71E-06mmHg at 25°C
• Boiling Point: 390.1°Cat760mmHg
• Flash Point: 189.8°C
• PSA: 68.54000
• Density: 1.658g/cm³
• LogP: 3.18600
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 248.94591
• Heavy Atom Count: 12
• Complexity: 247

Purity/Quality:

98%Min ^*data from raw suppliers

5-Bromo-2-methylbenzenesulfonamide ^*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)Br)S(=O)(=O)N
• Uses: 5-Bromo-2-methylbenzenesulfonamide is a useful reagent for the preparation of fluazaindolizine and analogs used in the control of plant parasitic nematodes.

Technology Process of 5-Bromo-2-methylbenzenesulfonamide

There total 9 articles about 5-Bromo-2-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%

→ 5-bromo-2-methylbenzene-1-sulfonamide (56919-16-5)

Guidance literature:

With ammonia; In tetrahydrofuran; methanol; at 20 ℃; for 1h;

Reference yield: 95.0%

5-bromo-2-methyl-benzene-sulfonyl chloride (69321-56-8) → 5-bromo-2-methylbenzene-1-sulfonamide (56919-16-5)

Guidance literature:

With ammonia; In water; 30 deg C then 80 deg C, 1 h;

Reference yield: 81.0%

para-bromotoluene (106-38-7) → 2-bromo-5-methylbenzenesulfonamide (56919-21-2) + 5-bromo-2-methylbenzene-1-sulfonamide (56919-16-5)

Guidance literature:

para-bromotoluene; With chlorosulfonic acid; In dichloromethane;

With ammonium hydroxide; at 0 ℃; for 50h; Reflux;

DOI:10.1016/j.bmc.2019.115231

upstream raw materials:

5-bromo-2-methyl-benzene-sulfonyl chloride

para-bromotoluene

4-bromo-toluene-2-sulfonic acid

Downstream raw materials:

N-acetyl-5-bromo-2-methylbenzenesulfonamide

C₁₆H₁₀BrClF₃N₃O₃S

6-bromo-2,3-dihydrobenzo[d]isothiazole 1,1-dioxide

2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenesulfonamide

Refernces

• 1、 -. "INHIBITORS OF THE YAP/TAZ-TEAD INTERACTION AND THEIR USE IN THE TREATMENT OF CANCER". Paragraph 0096; 0106. . Retrieved 2020/04/21.
• 2、 -. "Novel compounds that are inhibitors of YAP/TAZ-TEAD interaction and their use in the treatment of malignant mesothelioma". Paragraph 0729-0731. . Retrieved 2020/02/01.