5-(methoxymethyl)-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid

C15H19N3O4

CAS114311-32-9
GHS08 Gefahrensymbol: Gesundheitsgefahr – Gesundheitsgefahr
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
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Identification

CAS Number
114311-32-9
UN Number
3077
Index Number
613-208-00-7
PubChem CID
86137

Physical-chemical properties

Molecular Formula
C15H19N3O4
Molar Mass
305.33 g/mol
IUPAC Name
5-(methoxymethyl)-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid

Chemical Identifiers

InChI
InChI=1S/C15H19N3O4/c1-8(2)15(3)14(21)17-12(18-15)11-10(13(19)20)5-9(6-16-11)7-22-4/h5-6,8H,7H2,1-4H3,(H,19,20)(H,17,18,21)
InChI Key
NUPJIGQFXCQJBK-UHFFFAOYSA-N

Overview

5-(methoxymethyl)-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid (CAS 114311-32-9) is a heterocyclic organic compound with imidazolone and pyridinecarboxylic acid functionalities. This specialized chemical compound features a complex molecular structure combining pyridine and imidazole ring systems, with a molecular formula of C15H19N3O4 and molecular weight of 305.33 g/mol. The presence of methoxymethyl and carboxylic acid functional groups, along with the substituted imidazolone moiety, provides unique chemical reactivity and binding properties that make it valuable in pharmaceutical and agrochemical applications. The compound exhibits significant safety considerations, classified under reproductive toxicity category 2 and aquatic toxicity categories acute 1 and chronic 1. These classifications necessitate careful handling procedures and environmental protection measures during storage, transport, and use. The ADR class 9 designation indicates it requires specialized shipping protocols as a miscellaneous dangerous substance. Industrial applications primarily focus on pharmaceutical intermediate synthesis and agrochemical formulations, where its heterocyclic structure serves as a key building block. The compound's chemical profile shares certain structural similarities with other specialized organic compounds used in crop protection, though it differs significantly from simpler aromatic systems like 3,4-dimethyl-2,6-dinitro-N-pentan-3-ylaniline in terms of biological activity and application scope. Manufacturing processes require stringent quality control due to the compound's complex stereochemistry and multiple functional groups. Environmental monitoring is essential given its aquatic toxicity profile, particularly in facilities handling related pharmaceutical intermediates. OYSI provides this specialized compound with comprehensive documentation for qualified industrial customers requiring high-purity chemical intermediates.

Safety & Classification

Warning
Classification:

Repr. 2; Aquatic Acute 1; Aquatic Chronic 1

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H400

Very toxic to aquatic life.

H410

Very toxic to aquatic life with long lasting effects.

Classification according to CLP Regulation (EC) No 1272/2008. The complete list of hazard and precautionary statements can be found in the Safety Data Sheet (SDS).

First Aid Measures

Transport (ADR)

UN Number3077
ADR Class9
Packing GroupIII
Tunnel Code-
Proper Shipping NameImazamox (ISO)
Marine PollutantNo

Frequently Asked Questions

What is 5-(methoxymethyl)-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid?

5-(methoxymethyl)-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid is a complex organic compound with the molecular formula C15H19N3O4 and CAS number 114311-32-9. This heterocyclic carboxylic acid contains both pyridine and imidazole ring systems, with a molecular weight of 305.33 g/mol. It is classified as a reproductive toxicant category 2 and presents aquatic toxicity hazards, requiring careful handling in industrial applications.

What are the physicochemical properties of 5-(methoxymethyl)-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid?

5-(methoxymethyl)-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid has a molecular weight of 305.33 g/mol and molecular formula C15H19N3O4. The compound contains multiple functional groups including methoxymethyl, carboxylic acid, and imidazole moieties. Specific physical properties such as melting point, boiling point, and solubility parameters would require detailed analytical characterization. The presence of both hydrophilic and lipophilic structural elements suggests moderate polarity characteristics.

What is 5-(methoxymethyl)-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid used for?

5-(methoxymethyl)-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid is used as a chemical intermediate in pharmaceutical and fine chemical synthesis. Its complex heterocyclic structure makes it valuable for research and development applications, particularly in medicinal chemistry. The compound may serve as a building block for active pharmaceutical ingredients or specialized chemical products. Industrial applications typically involve controlled synthesis processes due to its specific hazard classification and handling requirements.

How to handle 5-(methoxymethyl)-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid safely?

Safe handling of 5-(methoxymethyl)-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid requires appropriate personal protective equipment including nitrile gloves, safety goggles, and lab coats. Work in well-ventilated areas or under fume hoods to minimize exposure. Given its Repr. 2 classification, avoid inhalation, skin contact, and ingestion. Use proper containment measures to prevent environmental release due to its aquatic toxicity. Training on reproductive hazards and emergency procedures is essential for personnel handling this material.

How to store 5-(methoxymethyl)-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid properly?

Proper storage of 5-(methoxymethyl)-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid requires a cool, dry, well-ventilated area away from incompatible materials. Store in tightly sealed containers to prevent moisture absorption and contamination. Due to its reproductive toxicity classification, maintain restricted access with appropriate labeling. Keep away from strong oxidizing agents and bases that might react with the carboxylic acid functionality. Implement spill containment measures to prevent environmental contamination given its aquatic toxicity profile.

What to do in case of contact with 5-(methoxymethyl)-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid?

In case of skin contact with 5-(methoxymethyl)-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid, immediately remove contaminated clothing and flush affected area with plenty of water for at least 15 minutes. For eye contact, rinse thoroughly with water and seek medical attention. If inhaled, move to fresh air immediately. If ingested, rinse mouth and seek immediate medical attention. Due to the reproductive toxicity hazard, prompt medical evaluation is recommended for any significant exposure, and inform medical personnel of the specific chemical identity.

How to dispose of 5-(methoxymethyl)-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid appropriately?

Disposal of 5-(methoxymethyl)-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid must comply with local, national, and EU waste regulations. This compound requires hazardous waste disposal through licensed waste management facilities due to its reproductive toxicity and aquatic hazard classifications. Do not discharge to water systems or regular waste streams. Incineration at high temperature in approved facilities is typically recommended. Consult local environmental authorities for specific disposal codes and requirements, ensuring proper documentation for waste tracking.

How to transport 5-(methoxymethyl)-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid?

Transportation of 5-(methoxymethyl)-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid follows ADR Class 9 regulations as a miscellaneous dangerous good, Packing Group III. This classification requires appropriate packaging, labeling, and documentation for road transport. Packages must bear proper shipping names, UN numbers, and hazard labels. Transport vehicles require appropriate placarding and emergency equipment. Drivers need ADR certification for Class 9 materials. Ensure compliance with international transport regulations for cross-border shipments within Europe.

Is 5-(methoxymethyl)-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid subject to specific regulations?

5-(methoxymethyl)-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid is subject to EU CLP regulation with mandatory hazard classification as Repr. 2, Aquatic Acute 1, and Aquatic Chronic 1. REACH registration requirements apply for import/manufacture above tonnage thresholds. The compound is not currently listed as an SVHC (Substance of Very High Concern). National occupational exposure limits and reproductive health protection measures may apply. Transportation follows ADR Class 9 requirements, and waste disposal is regulated under EU and national hazardous waste legislation.

Where to buy 5-(methoxymethyl)-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid in Europe?

OYSI serves as a reliable European distributor for 5-(methoxymethyl)-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid, offering professional chemical supply services across Europe. As specialists in technical chemicals, OYSI provides proper documentation, safety data sheets, and regulatory compliance support for this specialized compound. Their European network ensures efficient logistics while maintaining product quality and safety standards. Contact OYSI directly for availability, technical specifications, and custom packaging options for your specific application requirements in pharmaceutical or chemical research.

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5-(methoxymethyl)-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid is a dangerous good. We support you with labeling, packaging, and transport documentation.

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Data Sources

Classification per CLP Regulation (EC) No 1272/2008. Data from ECHA and PubChem.