2,4-Dimethylbenzenesulfonamide

Base Information

• Chemical Name: 2,4-Dimethylbenzenesulfonamide
• CAS No.: 7467-12-1
• Molecular Formula: C8H11NO2S
• Molecular Weight: 185.247
• Hs Code.: 2935009090
• European Community (EC) Number: 231-261-0
• NSC Number: 400648
• UNII: 8QJT2MD5UA
• DSSTox Substance ID: DTXSID50225645
• Nikkaji Number: J278.872A
• Mol file: 7467-12-1.mol

Synonyms:2,4-dimethylbenzenesulfonamide;7467-12-1;2,4-dimethylbenzene-1-sulfonamide;m-Xylene-4-sulphonamide;2,4-Xylenesulfonamide;Benzenesulfonamide, 2,4-dimethyl- (9CI);MFCD00460793;NSC-400648;2,4-dimethylbenzenesulphonamide;2,4-Dimethyl-benzenesulfonamide;NSC400648;8QJT2MD5UA;M-XYLENE-4-SULFONAMIDE;SCHEMBL5795116;DTXSID50225645;methyl-4-methylbenzene sulfonamide;Benzenesulfonamide, 2,4-dimethyl-;2,4-dimethylbenzenesulfonimidic acid;EINECS 231-261-0;BBL100178;GS0915;STL512346;AKOS001061177;FS-2346;NSC 400648;CS-0219516;FT-0678361;EN300-04232;Z45415591

Chemical Property of 2,4-Dimethylbenzenesulfonamide

Chemical Property:

• Vapor Pressure: 0.000109mmHg at 25°C
• Melting Point: 139～141℃
• Refractive Index: 1.554
• Boiling Point: 336.9 °C at 760 mmHg
• PKA: 10.30±0.60(Predicted)
• Flash Point: 157.5 °C
• PSA: 68.54000
• Density: 1.227 g/cm³
• LogP: 2.73190
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 185.05104977
• Heavy Atom Count: 12
• Complexity: 242

Purity/Quality:

99%min ^*data from raw suppliers

2,4-Dimethylbenzenesulfonamide 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2,4-Dimethylbenzenesulfonamide

There total 7 articles about 2,4-Dimethylbenzenesulfonamide 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: 93.0%

2,4-dimethylbenzenesulfonyl chloride (609-60-9) → 2,4-dimethylbenzenesulfonamide (7467-12-1)

Guidance literature:

With ammonium hydroxide; In tetrahydrofuran; water; at 20 ℃; for 16h; Inert atmosphere;

DOI:10.1021/acs.jmedchem.9b02094

Reference yield: 88.0%

2,4-dimethyl-thiophenol (13616-82-5) → 2,4-dimethylbenzenesulfonamide (7467-12-1)

Guidance literature:

With tert.-butylhydroperoxide; ammonium hydroxide; iodine; In water; acetonitrile; at 100 ℃; for 16h;

DOI:10.1039/c6ob01301e

Reference yield: 70.0%

→ 2,4-dimethylbenzenesulfonamide (7467-12-1)

Guidance literature:

With chlorosulfonic acid; at -20 - 20 ℃; for 3h;

With ammonium hydroxide; In tetrahydrofuran; at 20 ℃; for 4h;

upstream raw materials:

2,4-dimethylbenzenesulfonyl chloride

2,6-dimethyl-benzene-sulfonyl chloride

N-ethyl-2,4-dimethylbenzenesulfonamide

2,4-dimethyl-thiophenol

Downstream raw materials:

N-xanthen-9-yl-m-xylene-4-sulfonamide

N-(2,4-dimethyl-benzenesulfonyl)-glycine

1-[(2,4-dimethylphenyl)sulfonyl]-1H-pyrrole

(palladium)2Cl₂(2,4-dimethylphenylsulfonamide)2

Refernces

• 1、 -. "SELECTIVE NON-CYCLIC NUCLEOTIDE ACTIVATORS FOR THE CAMP SENSOR EPAC1". Page/Page column 00165; 00166; 00198; 00214. . Retrieved 2021/09/26.
• 2、 Wang, Pingyuan,Luchowska-Stańska, Urszula,Van Basten, Boy,Chen, Haiying,Liu, Zhiqing,Wiejak, Jolanta,Whelan, Padraic,Morgan, David,Lochhead, Emma,Barker, Graeme,Rehmann, Holger,Yarwood, Stephen J.,Zhou, Jia. "Synthesis and Biochemical Evaluation of Noncyclic Nucleotide Exchange Proteins Directly Activated by cAMP 1 (EPAC1) Regulators". . p. 5159 - 5184. Retrieved 2020/06/03.