(2R)-2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoic acid

C17H13ClN2O4

CAS100646-51-3

Consulting for (2R)-2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoic acid

Our experts support you with application, dosage, and compliance.

Request Consultation

Identification

CAS Number
100646-51-3
UN Number
PubChem CID
5484172

Physical-chemical properties

Molecular Formula
C17H13ClN2O4
Molar Mass
344.70 g/mol
IUPAC Name
(2R)-2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoic acid

Chemical Identifiers

InChI
InChI=1S/C17H13ClN2O4/c1-10(17(21)22)23-12-3-5-13(6-4-12)24-16-9-19-15-8-11(18)2-7-14(15)20-16/h2-10H,1H3,(H,21,22)/t10-/m1/s1
InChI Key
ABOOPXYCKNFDNJ-SNVBAGLBSA-N

Overview

(2R)-2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoic acid (CAS 100646-51-3) is a chiral quinoxaline derivative with herbicidal properties and selective enzymatic activity. This specialized organic compound represents a sophisticated example of modern agricultural chemistry, featuring a complex molecular structure that combines quinoxaline heterocyclic chemistry with phenoxyacetic acid functionality. The molecule's chirality, specifically its R-configuration, is crucial for its biological activity and selectivity profile. With a molecular formula of C17H13ClN2O4 and molecular weight of 344.7 g/mol, this compound demonstrates the precision engineering typical of contemporary crop protection agents. The chloroquinoxaline moiety serves as the active pharmacophore, while the phenoxypropanoic acid portion provides the necessary physicochemical properties for plant uptake and translocation. This structural combination enables selective herbicidal action through inhibition of specific plant enzymes while maintaining acceptable environmental fate characteristics. Key properties include moderate water solubility, stability under normal storage conditions, and selective biological activity against target weed species. The compound exhibits typical behavior for phenoxy acid herbicides in terms of plant absorption and systemic movement. Safety considerations align with standard agricultural chemical handling protocols, though specific hazard classifications require consultation of current safety data sheets. Primary applications include selective weed control in cereal crops, particularly for controlling broadleaf weeds in wheat, barley, and related grain crops. The compound also finds use in specialized turf management applications and as a research tool for studying plant hormone pathways. Additionally, it serves as an intermediate in the synthesis of related herbicidal compounds. OYSI maintains strategic inventory of this specialized quinoxaline derivative to support European agricultural and research markets with reliable supply and technical expertise.

Safety & Classification

No Hazard Classification

This substance is not classified as hazardous according to CLP Regulation (EC) No 1272/2008.

Frequently Asked Questions

What is (2R)-2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoic acid?

(2R)-2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoic acid is a synthetic organic compound with the molecular formula C17H13ClN2O4 and CAS number 100646-51-3. This chiral molecule contains a quinoxaline ring system substituted with chlorine, connected via phenoxy linkages to a propanoic acid moiety. With a molecular weight of 344.7 g/mol, it features both aromatic heterocyclic and carboxylic acid functional groups, making it a complex pharmaceutical or research intermediate.

What are the physicochemical properties of (2R)-2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoic acid?

(2R)-2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoic acid is typically a crystalline solid at room temperature due to its aromatic structure and carboxylic acid functionality. The compound likely exhibits limited water solubility due to its hydrophobic quinoxaline and phenyl rings, though the carboxylic acid group provides some polarity. Its melting point and specific physical characteristics depend on purity and crystalline form. The presence of nitrogen heteroatoms and chlorine substitution influences its chemical reactivity and stability properties.

What is (2R)-2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoic acid used for?

(2R)-2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoic acid is primarily used as a pharmaceutical intermediate or research compound in drug development. Its quinoxaline core structure suggests potential applications in developing therapeutic agents, particularly in areas where heterocyclic compounds show biological activity. The compound may serve as a building block for more complex pharmaceutical molecules or as a reference standard in analytical chemistry. Its specific chiral configuration makes it valuable for stereoselective synthesis applications.

How to handle (2R)-2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoic acid safely?

(2R)-2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoic acid should be handled using standard laboratory safety practices despite having no specific hazard classification. Wear appropriate personal protective equipment including safety glasses, lab coat, and chemical-resistant gloves when handling. Work in a well-ventilated area or fume hood to avoid inhalation of dust particles. Avoid direct skin and eye contact, and prevent ingestion. Follow good laboratory hygiene practices and wash hands thoroughly after handling.

How to store (2R)-2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoic acid correctly?

(2R)-2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoic acid should be stored in a cool, dry place away from direct sunlight and heat sources. Keep the container tightly closed to prevent moisture absorption and contamination. Store at room temperature or under refrigerated conditions as specified by the supplier. Avoid storage near strong oxidizing agents, bases, or other reactive chemicals. Maintain proper labeling and ensure storage areas are well-ventilated with appropriate temperature and humidity control.

What to do in case of contact with (2R)-2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoic acid?

In case of skin contact with (2R)-2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoic acid, immediately wash the affected area with plenty of soap and water for at least 15 minutes. For eye contact, rinse thoroughly with clean water for 15 minutes and seek medical attention if irritation persists. If inhaled, move to fresh air immediately. In case of accidental ingestion, rinse mouth with water and seek medical advice. Although no specific hazards are classified, treat any exposure seriously and consult a physician if symptoms develop.

How to dispose of (2R)-2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoic acid appropriately?

(2R)-2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoic acid should be disposed of through licensed chemical waste disposal companies in accordance with local, national, and EU waste regulations. Do not discharge into sewers, waterways, or regular trash. Collect waste in appropriate containers, properly labeled with contents and hazard information. Consider recovery or recycling options where possible. Consult local environmental authorities for specific disposal requirements, as organic compounds containing halogens may require special treatment methods.

How to transport (2R)-2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoic acid?

(2R)-2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoic acid has no specific ADR transport classification, indicating it can be shipped as a non-hazardous chemical under standard transport conditions. Use appropriate packaging to prevent container damage and product spillage during transit. Ensure packages are properly labeled with chemical name and supplier information. Follow general good practices for chemical transport including temperature control if required and avoiding exposure to extreme conditions that could affect product stability.

Is (2R)-2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoic acid subject to special regulations?

(2R)-2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoic acid is not classified as a Substance of Very High Concern (SVHC) under REACH regulation. However, as a chemical substance placed on the EU market, it falls under standard REACH registration requirements depending on volume thresholds. Users must comply with general chemical safety regulations, maintain safety data sheets, and follow standard risk assessment procedures. Check current regulatory status as classifications can change, and ensure compliance with any sector-specific requirements for pharmaceutical intermediates.

Where to buy (2R)-2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoic acid in Europe?

(2R)-2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoic acid is available through OYSI, a specialized European distributor of chemical products serving pharmaceutical, research, and industrial customers. OYSI provides reliable supply chains and technical support for specialty chemicals across Europe. Contact OYSI directly for availability, specifications, and pricing information. As a pharmaceutical intermediate, this compound may require specific documentation or end-use declarations depending on the intended application and local regulations in your country.

Data Sources

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