41468-10-4

Basic information

• Product Name: hydroxy(4-methylphenyl)methanesulfonic acid
• CAS NO: 41468-10-4
• Molecular Formula: C₈H₉O₄S*Na
• Molecular Weight: 202.2276
• Mol File: 41468-10-4.mol
• Article Data: 13

Chemical Properties

• Density: 1.456g/cm³
• Refractive Index: 1.605
• CAS DataBase Reference: hydroxy(4-methylphenyl)methanesulfonic acid(CAS DataBase Reference)
• NIST Chemistry Reference: hydroxy(4-methylphenyl)methanesulfonic acid(41468-10-4)
• EPA Substance Registry System: hydroxy(4-methylphenyl)methanesulfonic acid(41468-10-4)

Safety Data

• Hazardous Substances Data: 41468-10-4(Hazardous Substances Data)

Upstream product

• 104-87-0 4-methyl-benzaldehyde 

Downstream Products

• 1866-39-3 trans-p-methylcinnamic acid 
• 299949-24-9 ethyl 6-methyl-2-oxo-4-p-tolyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate 
• 82309-33-9 4-(4-methylbenzylidene)-2-phenyloxazol-5-one 
• 775526-39-1 C₁₅H₁₁ClN₂O 
• 1276113-39-3 ethyl 1-(2-hydroxyethyl)-2-p-tolyl-1H-benzo[d]imidazole-5-carboxylate 
• 1571-90-0 2-(4-methyl-phenyl)-5-nitro-1H-benzimidazole 
• 2620-78-2 1-methyl-2-p-tolyl-1H-benzoimidazole 
• 68874-21-5 1,3-dimethyl-2-(4-methylphenyl)-1H-benzimidazolium iodide 
• 18869-29-9 (E)-4,4'-dimethylstilbene 
• 5301-96-2 4-(p-tolyl)-1H-[1,2,3]triazole 

Relevant articles and documents

1 H -Benzimidazole-5-carboxamidine derivatives: Design, synthesis, molecular docking, DFT and antimicrobial studies

In this study, 15 new N-(cyclohexyl)-2-substituted-1H-benzimidazole-5-carboxamidine derivatives that could be new antimicrobial agents were synthesized and their antimicrobial activities were determined using the microdilution method. Some of the derivatives showed significant efficacy against MRSA and VREF with an MIC value of 8 μg mL-1 compared to reference drugs. Molecular docking studies of the compounds against PBP4 and active and allosteric regions of PBP2a were performed and estimated ADME profiles were calculated. The nitrogens of the amidine group of M7, one of the most effective antimicrobial compounds compared to reference drugs, formed two separate hydrogen bonds with ASP275 (1.77 ?) and ASP295 (1.83 ?) in the allosteric region of PBP2a. Geometric optimization parameters, MEP analysis, and HUMO and LUMO quantum parameters of M7 were calculated using DFT/B3LYP theory and the 6-311G(d,p) basis set and the results are displayed.

Synthesis of 3-Formylbenzenesulfonyl Chloride Derivatives

A synthetic route to 3-formylbenzenesulfonyl chloride derivatives from the corresponding benzaldehydes has been developed. The key step in this procedure is the conversion of aldehyde bisulfite adducts to target compounds via a two-stage reaction in the presence of Na 2 SO 4. A series of 3-formylbenzenesulfonyl chloride derivatives were prepared by this method and identified by chemical derivatization method.

Synthesis and evaluation of novel benzimidazole derivatives as sirtuin inhibitors with antitumor activities

A total of 15 novel benzimidazole derivatives were designed, synthesized and evaluated for their SIRT1 and SIRT2 inhibitory activity. All compounds showed better inhibition on SIRT2 as compared to SIRT1. Among these, compound 5j displayed the best inhibitory activity for SIRT1 (IC50 = 58.43 μM) as well as for SIRT2 (IC50 = 45.12 μM). Cell cytotoxicity assays also showed that compound 5j possesses good antitumor activity against two different cancer cell lines derived from breast cancer (MCF-7 and MDA-MB-468). A simple structure-activity-relationship (SAR) study of the newly synthesized benzimidazole derivatives was also discussed.