62036-67-3

Basic information

• Product Name: (1-dodecylpyridin-4(1H)-ylidene)-N-oxomethanaminium bromide
• CAS NO: 62036-67-3
• Molecular Formula: C₁₈H₃₁BrN₂O
• Molecular Weight: 371.3555
• Mol File: 62036-67-3.mol
• Article Data: 5

Chemical Properties

• Boiling Point: 379.7°C at 760 mmHg
• Flash Point: 183.4°C
• Vapor Pressure: 5.77E-06mmHg at 25°C
• CAS DataBase Reference: (1-dodecylpyridin-4(1H)-ylidene)-N-oxomethanaminium bromide(CAS DataBase Reference)
• NIST Chemistry Reference: (1-dodecylpyridin-4(1H)-ylidene)-N-oxomethanaminium bromide(62036-67-3)
• EPA Substance Registry System: (1-dodecylpyridin-4(1H)-ylidene)-N-oxomethanaminium bromide(62036-67-3)

Safety Data

• Hazardous Substances Data: 62036-67-3(Hazardous Substances Data)

Upstream product

• 696-54-8 pyridine-4-aldoxime 
• 143-15-7 1-dodecylbromide 

Downstream Products

• 2581-34-2 3-methyl-4-nitrophenol 
• 100-02-7 4-nitro-phenol 

Relevant articles and documents

Synthesis and disinfection effect of the pyridine-4-aldoxime based salts

A set of new quaternary ammonium compounds based on pyridine-4-aldoxime was synthesized, characterized with analytical data (NMR, EA, HPLC, MS) and tested for in vitro antimicrobial activity (antibacterial, antifungal) and cytotoxicity. Quaternary pyridinium-4-aldoxime salts with length of alkyl side chain from C8 to C20 and belonging to the group of cationic surfactants were investigated in this work. An HPLC experimental protocol for characterization of mixtures of all homologues has been found. Antimicrobial evaluation found that yeast-type fungi were most sensitive towards C14 and C16 analogues, whereas the C16 analogue was completely ineffective against filamentous fungi. Antibacterial assessment showed versatility of C14 and relatively high efficacy of C16 against G+ strains and C14 against G- strains. Notably, none of the studied compounds exceeded the efficacy and versatility of the benzalkonium C12 analogue, and benzalkonium analogues also exhibited lower cytotoxicity in the cell viability assay.

Configurational assignment of long-chain alkylated pyridinium aldoxime bromides by Noesy experiments

A configurational study of long-chain N-alkylated pyridinium aldoxime derivatives and their positional isomers has been carried out by two-dimensional 1H-1H NOESY (nuclear Overhauser effect spectroscopy). Cross peak intensities were observed to be enhanced with increasing mixing time. Mixing times longer than 250 ms result in increasing contribution of spin diffusion that produces unrealistic hydrogen-hydrogen distances. The results of NOE measurements showed significant enhancement in the intensity of iminyl proton resonances on irradiation of hydroxyl proton resonances and vice versa. The chemical shift difference between hydroxyl proton resonances and iminyl proton resonances was found to be ～4 ppm for syn and ～5 ppm for anti configurations. The study reveals that these compounds exist in the E configuration i.e. the syn form in solution. The syn isomer predominates; the anti isomer amounts are 3% (2-oxime), 4% (3-oxime) and 6% (4-oxime).

Nucleophilic substances for detoxification of phosphorus esters. Surface-active compounds

A series of N-substituted hydroxylamine derivatives was synthesized as a potential substitute for calcium hypochlorite. Like calcium hypochlorite, these compounds are highly P(V)-nucleophilic with respect to toxic phosphorus esters. Incorporating surface-