4685-10-3

Basic information

• Product Name: 3-(methoxycarbonyl)-1-methylpyridinium iodide
• Synonyms: Pyridinium, 3- (methoxycarbonyl)-1-methyl-, iodide
• CAS NO: 4685-10-3
• Molecular Formula: C₈H₁₀NO₂*I
• Molecular Weight: 279.075
• Mol File: 4685-10-3.mol
• Article Data: 9

Chemical Properties

• CAS DataBase Reference: 3-(methoxycarbonyl)-1-methylpyridinium iodide(CAS DataBase Reference)
• NIST Chemistry Reference: 3-(methoxycarbonyl)-1-methylpyridinium iodide(4685-10-3)
• EPA Substance Registry System: 3-(methoxycarbonyl)-1-methylpyridinium iodide(4685-10-3)

Safety Data

• Hazardous Substances Data: 4685-10-3(Hazardous Substances Data)

Usage

Description

3-(methoxycarbonyl)-1-methylpyridinium iodide is a pyridinium salt with the chemical formula C9H11NO2I. It is a white to off-white solid that is soluble in polar solvents such as water and methanol. 3-(methoxycarbonyl)-1-methylpyridinium iodide is commonly used as a reactant in organic synthesis and serves as an intermediate in the preparation of pharmaceutical compounds.

Uses

Used in Pharmaceutical Industry:
3-(methoxycarbonyl)-1-methylpyridinium iodide is used as a reactant in the synthesis of quaternary ammonium salts for the development of pharmaceutical products. Its role in the synthesis process contributes to the creation of various medicinal compounds.
Used in Agrochemical Industry:
3-(methoxycarbonyl)-1-methylpyridinium iodide also finds application in the agrochemical sector, where it is utilized as a reactant in the synthesis of quaternary ammonium salts. These salts are essential in the development of agrochemical products, such as pesticides and herbicides, to enhance crop protection and yield.
Used in Research and Development:
3-(methoxycarbonyl)-1-methylpyridinium iodide is employed as a reactant in the research and development of new synthetic methods. Its versatility in organic synthesis allows scientists to explore innovative approaches and create novel compounds for various applications.

Upstream product

• 120-72-9 indole 
• 93-60-7 methyl 3-pyridinecarboxylate 
• 74-88-4 methyl iodide 
• 59-67-6 nicotinic acid 

Downstream Products

• 1690-72-8 dihydroarecoline 
• 63-75-2 arecoline 

Relevant articles and documents

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A predictive model for additions to: N -alkyl pyridiniums

Disclosed in this communication is a thorough study on the dearomative addition of organomagnesium nucleophiles to N-alkyl pyridinium electrophiles. The regiochemical outcomes have observable and predictable trends associated with the substituent patterns on the pyridinium electrophile. Often, the substituent effects can be either additive, giving high selectivities, or ablative, giving competing outcomes. Additionally, the nature of the organometallic nucleophilic component was also investigated for its role in the regioselective outcome. The effects of either reactive component are important to both the overall reactivity and site of nucleophilic addition. The utility of these observed trends is demonstrated in a concise, dearomative synthesis of a tricyclic compound shown to have insecticidal activity. This journal is

Substituent effects on formation of cation dimers by weak hydrogen bonds in crystals of carbonyl pyridinium salts of ni(dmit)2

Five 1:1 salts of 3-X-1-methylpyridinium (X = benzoyl, acetyl, methoxycarbonyl, carboxy, and aminocarbonyl; abbreviated as Ben, Ace, Met, Car, and Ami, respectively) cations with a [Ni(dmit)2]- anion ([Ben]+[Ni(dmit)2]- (1), Ace] +[Ni(dmit)2]- (2), [Met]+[Ni(dmit) 2]- (3), [Car]+[Ni(dmit)2] - (4), and [Ami]+[Ni(dmit)2]- (5)) have been synthesized and characterized by single-crystal X-ray analysis and conductivity measurements. In the crystals, three cations 1-3 were found to form dimers by weak C-H...O hydrogen bonds, and the arrangements of cations had a strong relation with the electronic effect of the substituents. The cations of 1-3 formed similar centrosymmetrically associated dimers constructed by weak C-H...O hydrogen bonds, whose geometric parameters had a correlation with the electronic effect of the substituents. A cation of 4 also formed centrosymmetrically associated dimer, but it was made by an O-H...O hydrogen bond as usually observed in the case of carboxylic acid. In contrast with other complex salts, cations of 5 formed one-dimensional structure by C-H...O hydrogen bonding. The conductivities of salts 1, 2, 3, 4, and 5 at room temperature were 1.00 × 10-6, 1.10 × 10-6, 2.86 × 10-6, 9.77 × 10-6, and 8.75 × 10 -7Scm-1, respectively.