247592-67-2

Basic information

• Product Name: 2-(4-FORMYL-2-METHOXY-PHENOXY)-N-O-TOLYL-ACETAMIDE
• Synonyms: AKOS B004517;(4-FORMYL-2-METHOXYPHENOXY)-N-(O-TOLYL)ACETAMIDE;2-(4-FORMYL-2-METHOXY-PHENOXY)-N-O-TOLYL-ACETAMIDE;ART-CHEM-BB B004517;TIMTEC-BB SBB004792
• CAS NO: 247592-67-2
• Molecular Formula: C17H17NO4
• Molecular Weight: 299.32
• Mol File: 247592-67-2.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 525.5±45.0 °C(Predicted)
• Appearance: /
• Density: 1.232±0.06 g/cm3(Predicted)
• PKA: 13.25±0.70(Predicted)
• CAS DataBase Reference: 2-(4-FORMYL-2-METHOXY-PHENOXY)-N-O-TOLYL-ACETAMIDE(CAS DataBase Reference)
• NIST Chemistry Reference: 2-(4-FORMYL-2-METHOXY-PHENOXY)-N-O-TOLYL-ACETAMIDE(247592-67-2)
• EPA Substance Registry System: 2-(4-FORMYL-2-METHOXY-PHENOXY)-N-O-TOLYL-ACETAMIDE(247592-67-2)

Safety Data

• Hazard Codes: Xi
• HazardClass: IRRITANT
• Hazardous Substances Data: 247592-67-2(Hazardous Substances Data)

Usage

Molecular class

Acetamide

Structural features

Formyl group (aldehyde group)
Methoxy group (oxygen and three carbon atoms)
Phenoxy group (benzene ring with an ether linkage)
Tolyl group (methyl group attached to a benzene ring)

Attachments

Formyl, methoxy, and tolyl groups attached to an acetamide moiety

Potential applications

Pharmaceuticals
Agrochemicals
Materials science

Research and development

Further studies needed to determine specific properties and uses.

Upstream product

• 95-53-4 o-toluidine 
• 121-33-5 vanillin 

Relevant articles and documents

Low cytotoxic quinoline-4-carboxylic acids derived from vanillin precursors as potential human dihydroorotate dehydrogenase inhibitors

Twenty novel 2-substituted quinoline-4-carboxylic acids bearing amide moiety were designed and synthesized by Doebner reaction. Human dihydroorotate dehydrogenase (hDHODH) was recognized as a biological target and all compounds were screened as potential hDHODH inhibitors in an enzyme inhibition assay. The prepared heterocycles were also evaluated for their cytotoxic effects on the healthy HaCaT cell line while lipophilic properties were considered on the basis of experimentally determined logD values at physiological pH. The most promising compound 5j, with chlorine at para-position of terminal phenyl ring, showed good hDHODH inhibitory activity, low cytotoxicity, and optimal lipophilicity. The bioactive conformation of 5j on the hDHODH, determined by means of molecular docking, revealed the compound's pharmacology and provide guidelines for further lead optimization.