5-(methoxymethyl)-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid
C15H19N3O4
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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 featuring both pyridine and imidazole ring systems with carboxylic acid functionality. This complex organic molecule with the molecular formula C15H19N3O4 and molecular weight of 305.33 g/mol represents a sophisticated example of heterocyclic chemistry, incorporating multiple functional groups within its structure. The compound features a pyridine ring substituted with a methoxymethyl group and carboxylic acid moiety, connected to an imidazole ring system bearing methyl and isopropyl substituents. This structural complexity makes it particularly valuable in specialized chemical applications where precise molecular architecture is required. From a safety perspective, this substance requires careful handling due to its classification as a reproductive toxicant category 2 and its acute and chronic aquatic toxicity profile. The compound carries GHS08 and GHS09 pictograms with a "Warning" signal word, indicating potential health hazards and environmental concerns. As a Class 9 miscellaneous dangerous substance under ADR transport regulations, proper shipping protocols must be observed during distribution. The compound's unique structural features make it suitable for applications in pharmaceutical intermediates, agrochemical synthesis, and specialized research applications. Its heterocyclic framework shares some structural similarities with other complex organic molecules used in crop protection, though it differs significantly from simpler compounds like 3,4-dimethyl-2,6-dinitro-N-pentan-3-ylaniline in terms of molecular complexity and application scope. The presence of both carboxylic acid and heterocyclic functionalities enables its use in advanced organic synthesis and materials science applications. OYSI maintains reliable supply chains for this specialized compound, ensuring consistent availability for European industrial customers requiring high-purity heterocyclic intermediates.
Safety & Classification
Repr. 2; Aquatic Acute 1; Aquatic Chronic 1
GHS Pictograms
HHazard Statements (H-Statements)
Describe the nature and severity of the hazard
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 Number | 3077 |
| ADR Class | 9 |
| Packing Group | III |
| Tunnel Code | - |
| Proper Shipping Name | Imazamox (ISO) |
| Marine Pollutant | No |
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 an organic chemical compound with molecular formula C15H19N3O4 and CAS number 114311-32-9. This complex heterocyclic compound contains both pyridine and imidazole ring systems with various functional groups including carboxylic acid and methoxymethyl substituents. With a molecular weight of 305.33 g/mol, it is classified as a hazardous substance with reproductive toxicity and aquatic toxicity properties.
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?
This compound is a solid organic material at room temperature with multiple functional groups affecting its properties. The presence of carboxylic acid functionality suggests polar characteristics and potential water solubility under appropriate pH conditions. The compound contains aromatic ring systems (pyridine and imidazole) which contribute to its stability and chemical behavior. Specific physical properties such as melting point, density, and exact solubility parameters would require detailed analytical characterization for precise determination.
What is 5-(methoxymethyl)-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid used for?
This compound is primarily used as a chemical intermediate or research chemical in pharmaceutical and agrochemical synthesis. Its complex heterocyclic structure makes it valuable for medicinal chemistry applications and drug discovery programs. The presence of multiple functional groups allows for further chemical modifications and derivatization. It may serve as a building block in the synthesis of more complex bioactive molecules or as a reference standard in analytical chemistry applications.
How to safely handle 5-(methoxymethyl)-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid?
Safe handling requires appropriate personal protective equipment including chemical-resistant gloves, safety goggles, and protective clothing due to its Repr. 2 classification. Work should be conducted in well-ventilated areas or under fume extraction to prevent inhalation exposure. Avoid direct skin and eye contact, and prevent ingestion. Use proper chemical handling techniques including secondary containment and spill control measures. Given its reproductive toxicity classification, pregnant workers should avoid exposure. Always consult the safety data sheet before handling.
How to properly store 5-(methoxymethyl)-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid?
Store this compound in a cool, dry, well-ventilated area away from direct sunlight and heat sources. Keep containers tightly closed and properly labeled in a designated chemical storage area with appropriate secondary containment. Due to its aquatic toxicity classification, prevent environmental release and store away from water sources. Maintain storage temperatures as recommended by the manufacturer and ensure compatibility with surrounding chemicals. Regular inspection of container integrity is essential to prevent leaks or contamination.
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, immediately remove contaminated clothing and wash the affected area thoroughly with soap and water for at least 15 minutes. For eye contact, rinse immediately with clean water for at least 15 minutes and seek medical attention. If inhaled, move the person to fresh air and monitor breathing. If swallowed, do not induce vomiting and seek immediate medical attention. Always consult the safety data sheet for specific first aid measures and contact emergency services if serious exposure occurs.
How to properly dispose of 5-(methoxymethyl)-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid?
Disposal must comply with local, national, and international waste regulations due to its hazardous classification. This substance requires disposal as hazardous chemical waste through licensed waste management companies. Due to its Aquatic Acute 1 and Aquatic Chronic 1 classifications, prevent environmental release and groundwater contamination. Incineration at appropriate high-temperature facilities may be suitable. Containers should be triple-rinsed and disposed of according to hazardous waste protocols. Never dispose of via regular waste streams or sewage systems.
How to transport 5-(methoxymethyl)-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid?
This substance is classified as ADR Class 9 (Miscellaneous Dangerous Goods), Packing Group III, requiring appropriate packaging and documentation for transport. Use UN-approved packaging suitable for Class 9 materials with proper labeling and placarding. Transport documentation must include proper shipping names and hazard classifications. Vehicles must carry appropriate emergency response information and spill control materials. Drivers require ADR training for dangerous goods transport. Segregation from incompatible materials during transport is essential for safety.
Is 5-(methoxymethyl)-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid subject to specific regulations?
Yes, this substance is subject to various European and international chemical regulations. Under REACH regulation, it requires registration for manufacture or import above tonnage thresholds. CLP regulation mandates proper classification and labeling with GHS08 and GHS09 pictograms and 'Warning' signal word. It is not currently listed as a SVHC (Substance of Very High Concern). Transport is regulated under ADR as Class 9 dangerous goods. National occupational exposure limits and workplace safety regulations also apply.
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 this specialized chemical compound, providing quality products with proper documentation and regulatory compliance. As an established chemical distributor, OYSI ensures appropriate packaging, labeling, and safety data sheets according to European regulations. The company can supply various quantities to meet research, development, and industrial needs across Europe. Contact OYSI directly for availability, specifications, and pricing information, as this compound requires proper handling and shipping arrangements due to its hazardous classification.
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ADR Consulting for 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 dangerous good. We support you with labeling, packaging, and transport documentation.
Data Sources
Classification per CLP Regulation (EC) No 1272/2008. Data from ECHA and PubChem.