23145-45-1

Basic information

• Product Name: Benzenemethanaminium, N,N-dimethyl-N-phenyl-, bromide
• CAS NO: 23145-45-1
• Molecular Formula: C15H18N.Br
• Molecular Weight: 292.219
• Mol File: 23145-45-1.mol
• Article Data: 4

Chemical Properties

• CAS DataBase Reference: Benzenemethanaminium, N,N-dimethyl-N-phenyl-, bromide(CAS DataBase Reference)
• NIST Chemistry Reference: Benzenemethanaminium, N,N-dimethyl-N-phenyl-, bromide(23145-45-1)
• EPA Substance Registry System: Benzenemethanaminium, N,N-dimethyl-N-phenyl-, bromide(23145-45-1)

Safety Data

• Hazardous Substances Data: 23145-45-1(Hazardous Substances Data)

Upstream product

• 74-83-9 methyl bromide 
• 31930-96-8 N-allyl-N-benzylaniline 
• 100-39-0 benzyl bromide 
• 121-69-7 N,N-dimethyl-aniline 
• 614-30-2 N-methyl-N-phenyl-benzenemethanamine 
• 77-78-1 dimethyl sulfate 
• 701-56-4 4-methoxy-N,N-dimethylanilne 
• 99-97-8 Dimethyl-p-toluidine 
• 104292-31-1 N-benzyl-4-methoxy-N,N-dimethylbenzenaminium bromide 
• 97788-15-3 N-benzyl-N,N-dimethyl-p-methylanilinium bromide 
• 16370-22-2 N,N-dimethyl-N-(prop-2-en-1-yl)anilinium bromide 

Downstream Products

• 121-69-7 N,N-dimethyl-aniline 
• 97788-15-3 N-benzyl-N,N-dimethyl-p-methylanilinium bromide 
• 104292-31-1 N-benzyl-4-methoxy-N,N-dimethylbenzenaminium bromide 
• 100-39-0 benzyl bromide 
• 61076-90-2 9-benzyl-9-methylfluorene 

Relevant articles and documents

Preparation, in vitro screening and molecular modelling of mono-quaternary compounds related to the selective acetylcholinesterase inhibitor BW284c51

This paper describes preparation and in vitro evaluation of 19 compounds related to the selective experimental cholinesterase inhibitor BW284c51. The novel compounds were prepared as fragments of parent molecule BW284c51 and evaluated on the model of human recombinant acetylcholinesterase and human plasmatic butyrylcholinesterase. The IC50 values of the prepared compounds were compared to the parent molecule BW284c51. None of the compounds was superior to the parent drug, but two BW284c51 fragments showed promising hAChE inhibition in μM scale and improved selectivity. These two fragments were further subjected to the molecular modelling study and their enzyme interactions were rationalized. The structure-activity relationship of the prepared series was stated.

NUCLEOPHILIC SUBSTITUTION REACTION OF BENZYL BROMIDE WITH N,N-DIMETHYLANILINE: SIGNIFICANCE OF EQUILIBRIUM CROSS-INTERACTION CONSTANT

Kinetic studies on the reversible reactions of benzyl bromides with N,N-dimethylanilines were carried out for both the forward (kf) and reverse (kr) directions.The equilibrium constants, K were calculated using the ratio kf//kr and the equilibrium cross-interaction constant, ρeXY was determined.The ρeXY value was shown to represent a maximum intensity of interactions between substituents X and Y through covalent bonds within a molecule.The normalized values of ρX (ρnuc) and ρXY indicate that in the transition state the fractional development or loss of polar and resonance interactions in the benzyl system are imbalanced or non-perfectly synchronized.In the forward reaction the fractional loss of resonance interaction becomes enhanced, whereas in the reverse reaction the fractional development of resonance interaction lags behind the corresponding changes of polar interaction by ca 45percent.