10129-59-6

Basic information

• Product Name: PyridiniuM, 4-(ethoxycarbonyl)-1-Methyl-, iodide
• Synonyms: PyridiniuM, 4-(ethoxycarbonyl)-1-Methyl-, iodide;4-(Ethoxycarbonyl)-1-methylpyridin-1-ium iodide
• CAS NO: 10129-59-6
• Molecular Formula: C₉H₁₂NO₂*I
• Molecular Weight: 293.10155
• Mol File: 10129-59-6.mol
• Article Data: 4

Chemical Properties

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Appearance: /
• Density: g/cm³
• Storage Temp.: Sealed in dry,Room Temperature
• CAS DataBase Reference: PyridiniuM, 4-(ethoxycarbonyl)-1-Methyl-, iodide(CAS DataBase Reference)
• NIST Chemistry Reference: PyridiniuM, 4-(ethoxycarbonyl)-1-Methyl-, iodide(10129-59-6)
• EPA Substance Registry System: PyridiniuM, 4-(ethoxycarbonyl)-1-Methyl-, iodide(10129-59-6)

Safety Data

• Hazardous Substances Data: 10129-59-6(Hazardous Substances Data)

Usage

General Description

PyridiniuM, 4-(ethoxycarbonyl)-1-Methyl-, iodide is an organic compound with the chemical formula C10H15NO2I. It is a quaternary ammonium salt, which means it is formed by replacing the hydrogen atoms in the nitrogen of a pyridine molecule with a functional group. PyridiniuM, 4-(ethoxycarbonyl)-1-Methyl-, iodide is commonly used in organic synthesis as a reagent for building other organic compounds. It is also utilized as a precursor for the synthesis of pharmaceutical products. Furthermore, it is a stable and crystalline compound with a white to light yellow color. PyridiniuM, 4-(ethoxycarbonyl)-1-Methyl-, iodide is typically stored and handled in a controlled environment due to its reactivity and potential health hazards.

InChI:InChI=1/C9H12NO2/c1-3-12-9(11)8-4-6-10(2)7-5-8/h4-7H,3H2,1-2H3/q+1

Upstream product

• 1570-45-2 isonicotinic acid ethylester 
• 74-88-4 methyl iodide 

Downstream Products

• 36166-75-3 1-methyl-1,2,3,6-tetrahydropyridine-4-methanol 
• 40175-06-2 ethyl 1-methyl-1,2,5,6-tetrahydropyridine-4-carboxylate 
• 24252-37-7 ethyl 1-methylisonipecotate 
• 33972-97-3 1-methyl-2-oxo-1,2-dihydro-4-pyridinecarboxylic acid 
• 78815-70-0 cis-2-benzyl-4-ethoxycarbonyl-1-methylpiperidine 
• 78815-68-6 1-benzyl-4-ethoxycarbonyl-1,2,3,6-tetrahydro-1-methylpyridinium bromide 
• 78815-79-9 N-methyl-1-phenylspiro-1-ol 
• 78815-69-7 6-benzyl-4-ethoxycarbonyl-1,2,3,6-tetrahydro-1-methylpyridine 
• 78815-71-1 4-benzyl-4-ethoxycarbonyl-1-methylpiperidine 

Relevant articles and documents

MGluR5 modulators I

The present invention is directed to novel compounds, to a process for their preparation, their use in therapy and pharmaceutical compositions comprising the novel compounds.

Reductive alkylation of pyridinium salts. Part 1. Synthesis of di-, tetra- and hexa-hydropyridine esters

Reaction of 1-methyl-, 1-benzyl- and 1-benzoyl-4-ethoxycarbonylpyridinium salts 1 with zinc and benzyl bromide produce regioselectively the 4,4-disubstituted 1,4-dihydropyridines 3 (R = CH3, PhCH2, PhCO); only the latter is stable but all are reduced catalytically to piperidines 2 (R = CH3, PhCH2, PhCO). 1-Benzoyl-4-ethoxycarbonylpyridinium chloride with zinc and benzoyl chloride or ethyl bromoacetate gives respectively 4-benzoyl- 18 or 4-ethoxycarbonylmethyl-1-benzoyl-4-ethoxycarbonyl-1,4-dihydropyridine 17, but 1-methyl-4-ethoxycarbonylpyridinium iodide 1 (R = CH3, X = I) with benzoyl chloride gives 3-benzoyl-4-ethoxycarbonyl-1-methyl-1,2-dihydropyridine 21.The action of zinc and benzyl bromide on 1-methyl- and 1-benzyl-3-ethoxycarbonylpyridinium salts 5 gives, after catalytic hydrogenation, mixtures of 2- and 4-benzyl-5-ethoxycarbonyl-1,2,3,4-tetrahydropyridines 6 and 7 (R = CH3 or PhCH2) but similar treatment of 1-benzoyl-3-ethoxycarbonylpyridinium chloride 5 (R = PhCO, X = Cl) yields selectively the stable 4-benzyl-3-ethoxycarbonyl-1,4-dihydropyridine 9.Treatment of 1-methyl- or 1-benzoyl-3-ethoxycarbonylpyridinium salts 5 with zinc and benzoyl chloride gives a mixture of products. 1-Methyl-2-ethoxycarbonylpyridinium iodide 11 (R = CH3, X = I) reacts with zinc and benzyl bromide giving, after catalytic hydrogenation, 2-, 4- and 6-benzyl-2-ethoxycarbonyl-1-methylpiperidines 12, 13 and 14 (R = CH3) in the ratio 2:7:1, but 1-benzyl-2-ethoxycarbonylpyridinium bromide 11 (R = PhCH2, X = Br) gives only 1,4-dibenzyl-2-ethoxycarbonylpiperidine 13 (R = PhCH2).