139157-69-0

Basic information

• Product Name: 2-[(2,2-dimethyl-1,3-dioxan-5-ylidene)methyl]-1-methyl-5-nitro-1H-imidazole
• CAS NO: 139157-69-0
• Molecular Formula: C₁₁H₁₅N₃O₄
• Molecular Weight: 253.2545
• Mol File: 139157-69-0.mol

Chemical Properties

• Boiling Point: 435.8°C at 760 mmHg
• Flash Point: 217.3°C
• Density: 1.33g/cm³
• Vapor Pressure: 8.53E-08mmHg at 25°C
• Refractive Index: 1.586
• CAS DataBase Reference: 2-[(2,2-dimethyl-1,3-dioxan-5-ylidene)methyl]-1-methyl-5-nitro-1H-imidazole(CAS DataBase Reference)
• NIST Chemistry Reference: 2-[(2,2-dimethyl-1,3-dioxan-5-ylidene)methyl]-1-methyl-5-nitro-1H-imidazole(139157-69-0)
• EPA Substance Registry System: 2-[(2,2-dimethyl-1,3-dioxan-5-ylidene)methyl]-1-methyl-5-nitro-1H-imidazole(139157-69-0)

Safety Data

• Hazardous Substances Data: 139157-69-0(Hazardous Substances Data)

Usage

Derivative of imidazole

The compound is based on an imidazole ring, which is a common structure found in many biologically active molecules.

5-nitro substitution

A nitro group (-NO2) is attached to the 5th position of the imidazole ring, which may affect the compound's reactivity and biological activity.

Methyl group

A methyl group (-CH3) is attached to the 1st position of the imidazole ring, which may influence the compound's lipophilicity and membrane permeability.

Used in pharmaceutical research and drug development

The compound has potential applications in the development of new drugs, particularly for antimicrobial or antiparasitic purposes.

Potential antimicrobial or antiparasitic properties

The compound may have activity against microorganisms or parasites, which could be useful in the treatment of infections or infestations.

Applications in organic synthesis and medicinal chemistry

The compound may be useful as a building block or intermediate in the synthesis of other molecules, or as a probe or tool in the study of biological processes.

Mechanism of action and specific uses under investigation

While the precise biological activity and potential therapeutic applications of the compound are still being studied, its unique structure and properties make it a promising subject for further research.

Upstream product

• 6905-07-3 2-(chloromethyl)-1-methyl-5-nitroimidazole 
• 4064-87-3 2,2-dimethyl-5-nitro-1,3-dioxane 
• 104143-47-7 C₆H₁₀NO₄^(1-) 
• 4728-14-7 2,2-dimethyl-5-hydroxymethyl-5-nitro-1,3-dioxane 

Relevant articles and documents

Cascade SRN1 reactions in 5-nitroimidazole series

The reaction of 3-chloro-2-chloromethyl-1-(1-methyl-5-nitroimidazol-2-y1)prop-1-ene with 2-nitropropane anion which gives three products is shown to proceed by an initial SRN1 mechanism followed by another SRN1 leading to the bis-C-alkylation product or SN2 or SN2′ and Michael reactions.

Preparation and antiparasitic activity of new imidazoles bearing dioxane or hexahydropyrimidine moiety

5-Nitro-1,3-dioxane and 5-nitrohexahydropyrimidine salts are found to be suitable nucleophiles for S(RN)1 reactions. From C-alkylation products, base-promoted nitrous acid elimination and acid-catalyzed cleavage of the resulting acetals afford new compounds. Only the imidazole derivatives exhibit significant amoebicide and trichomonacide activities. Structure-activity relationships are discussed.

REACTIONS SRN1 EN SERIE HETEROCYCLIQUE: IV: REACTIVITE DES SELS DU DIMETHYL-2,2 NITRO-5 DIOXANNE-1,3

2-Alkyl 2-nitro 1,3-propanediol, 2-alkylidene 1,3-propanediol and 2-dialkylidene 1,3-propanediol are prepared via SRN1 reactions with salts of 2,2-dimethyl 5-nitro 1,3-dioxane and acid-catalyzed cleavage of the resulting acetals.