5096-13-9

Basic information

• Product Name: 3-(AMINOCARBONYL)-1-BENZYLPYRIDINIUM CHLORIDE
• Synonyms: 3-(AMINOCARBONYL)-1-BENZYLPYRIDINIUM CHLORIDE;1-benzyl-3-carbamoylpyridinium chloride;1-benzyl-3-aminocarbonylpyridinium chloride
• CAS NO: 5096-13-9
• Molecular Formula: C₁₃H₁₃N₂O*Cl
• Molecular Weight: 248.71
• EINECS: 225-814-5
• Mol File: 5096-13-9.mol
• Article Data: 14

Chemical Properties

• Appearance: /
• Density: 1.351[at 20℃]
• Water Solubility: 489g/L at 20℃
• CAS DataBase Reference: 3-(AMINOCARBONYL)-1-BENZYLPYRIDINIUM CHLORIDE(CAS DataBase Reference)
• NIST Chemistry Reference: 3-(AMINOCARBONYL)-1-BENZYLPYRIDINIUM CHLORIDE(5096-13-9)
• EPA Substance Registry System: 3-(AMINOCARBONYL)-1-BENZYLPYRIDINIUM CHLORIDE(5096-13-9)

Safety Data

• Hazardous Substances Data: 5096-13-9(Hazardous Substances Data)

Usage

Flammability and Explosibility

Notclassified

InChI:InChI=1/C7H11NO2/c1-3-10-7(9)5-4-6-8-2/h3-6H2,1H3

Upstream product

• 952-92-1 1-Benzyl-1,4-dihydronicotinamide 
• 116-16-5 1,1,1,3,3,3-hexachloro-propan-2-one 
• 118-76-3 rhodizonic acid 
• 13076-43-2 3-(aminocarbonyl)-1-benzylpyridinium bromide 
• 98-92-0 nicotinamide 
• 100-39-0 benzyl bromide 
• 608-80-0 benzenehexol 
• 73636-25-6 C₁₃H₁₃N₂O⁽¹⁺⁾*C₄H₂N₂O₄^(1-) 
• 5464-91-5 10-methyl-9-phenylacridin-10-ium chloride 
• 319-89-1 tetrahydroxy-1,4-quinone 
• 53406-00-1 3-carbamoyl-1-(2,4-dinitrophenyl)pyridinium chloride 
• 100-46-9 benzylamine 
• 100-44-7 benzyl chloride 

Downstream Products

• 67146-57-0 1,1'-dibenzyl-1,4,1',4'-tetrahydro-[4,4']bipyridinyl-3,3'-dicarboxylic acid diamide 
• 17750-30-0 <4-(2)H>-1-benzyl-1,4-dihydronicotinamide 
• 13089-53-7 C₁₃H₁₂⁽²⁾HN₂O⁽¹⁺⁾*Cl^(1-) 
• 60172-94-3 1-benzyl-4,4-dideutero-1,4-dihydronicotinamide 
• 1449753-56-3 1-benzyl-4-(2-(4-bromophenyl)-2-hydroxyethyl)-1,4-dihydropyridine-3-carboxamide 
• 1449753-42-7 7-benzyl-3-(4-bromophenyl)-2,7-naphthyridin-1(7H)-one 
• 4332-79-0 1-benzyl-6-oxo-1,6-dihydropyridine-3-carboxylic acid 
• 75340-29-3 Bis-(1-benzyl-3-carbamoyl-1,4-dihydro-pyridyl)-ether 
• 13076-43-2 3-(aminocarbonyl)-1-benzylpyridinium bromide 
• 2288-57-5 1-benzyl-1,2,5,6-tetrahydronicotinamide 
• 65032-86-2 1-benzyl-1,4,5,6-tetrahydropyridine-3-carboxamide 
• 952-92-1 1-Benzyl-1,4-dihydronicotinamide 
• 2288-38-2 3-(aminocarbonyl)-1,6-dihydro-1-methylpyridine 
• 73636-25-6 C₁₃H₁₃N₂O⁽¹⁺⁾*C₄H₂N₂O₄^(1-) 

Relevant articles and documents

Macrocyclic Enzyme Model System. Kinetic Activity of Paracyclophane Bearing 1,4-Dihydronicotinamide and 2-Pyridinecarboxylic Acid Moieties as Effected by Zinc Ion

As regards the effect of zinc(II) ion on the reduction of hexachloroacetone, the kinetic activity of a paracyclophane (PCP) bearing 1,4-dihydronicotinamide (HNA) and 2-pyridinecarboxylic acid (Py) moieties, HNA-PCP-Py, has been investigated as an alcohol dehydrogenase model in reference to that of PCP-HNA in the light of their metal-coordination behavior.The reduction ability of PCP-HNA was significantly lowered as it underwent complex formation with zinc.On the other hand, HNA-PCP-Py showed an apparent rate maximum in a relatively lower concentration range of ZnCl2.The kinetic behavior was analyzed on the basis of the formation of two kinds of zinc complexes of HNA-PCP-Py: the 1:1 complex , in which both Py and HNA moieties are simultaneously coordinated to the same zinc ion, showed a decreased reactivity relative to metal-free HNA-PCP-Py; while the 2:1 complex (HNA-PCP-Py-ZnII-Py-PCP-HNA), in which HNA is free from metal-coordination, exercised a much enhanced activity, 7 times as reactive as metal-free HNA-PCP-Py.A plausible reaction mechanism for the enhanced reactivity has been discussed.

MECHANISM AND TRANSITION-STATE STRUCTURE OF HYDRIDE-TRANSFER REACTIONS MEDIATED BY NAD(P)H - MODELS

The energy to transfer one electron from NAD(P)H and related 1,4-dihydropyridines to a series of substrates is calculated and compared with the experimental activation energy for transfer of a hydride equivalent between these species.It is concluded that single electron-transfer (SET) cannot occur as a primary step in the overall hydride-transfer process except for substrates with very strong one-electron oxidizing properties.A simple valence-bond configuration mixing (VBCM) model is presented, that rationalizes the general occurrence of concerted hydride transfer as the lowest energy reaction-pathway and furthermore explains why the activtion energy of such a concerted pathway is often linearly related to that of a -hypothetical- SET process.For one intramolecular and two related, intermolecular hydride-transfer reactions the temperature dependence of the primary kinetic isotope effect (TDKIE) was studied.For the intramolecular reaction, where a face to face orientation of the reactants is enforced, the TDKIE parameters suggest the occurence of a bent hydride-transfer pathway.For both intermolecular reactions, however, a linear transition-state geometry is indicated.MNDO calculations of the reaction profile for hydride transfer from a 1,4-dihydropyridine to either a positively charged substrate (i.e. the pyridinium-ion) or to a neutral substrate (i.e. 1,1-dicyanoethylene) confirm, that a linear transition-state geometry is favoured, unless the system is geometrically restrained to prevent such a geometry.The MNDO calculations furthermore indicate that in a linear transition-state almost unimpeded rotation can occur about the C...H...C axis.This rotation interconverts the relative orientation of the reactants between parallel-exo and tilted-endo, which may have important consequences for the interpretation of the stereochemical outcome of reactions involving (pro)chiral reactants.

Tandem synthesis of substituted 2,7-naphthyridin-1(7H)-ones via Reissert reaction/intramolecular nucleophilic addition/oxidation dehydrogenation

A convenient method for the synthesis of substituted 2,7-naphthyridin-1(7H) -ones has been developed. This method was carried out starting from a simple nicotinamide salts via a tandem process including Reissert reaction, intramolecular nucleophilic addition and oxidation dehydrogenation. Using this method, a variety of substituted 2,7-naphthyridin-1(7H)-ones were obtained in good yields.

Synthesis of phenylene 1,3- and 1,4-bis(methylene)-3-carbamoylpyridinium bromides

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