1007364-30-8

Basic information

• Product Name: (αE)-α-(MethoxyiMino)-2-[(2-Methylphenoxy)Methyl]benzeneacetic Acid
• Synonyms: (αE)-α-(MethoxyiMino)-2-[(2-Methylphenoxy)Methyl]benzeneacetic Acid;(alphaE)-alpha-(Methoxyimino)-2-[(2-methylphenoxy)methyl]benzeneacetic acid;LXOPDEDFRXZTNO-FBMGVBCBSA-N
• CAS NO: 1007364-30-8
• Molecular Formula: C₁₇H₁₇NO₄
• Molecular Weight: 299.32118
• Product Categories: Amines, Aromatics, Inhibitors, Metabolites & Impurities, Pharmaceuticals, Intermediates & Fine Chemicals
• Mol File: 1007364-30-8.mol
• Article Data: 5

Chemical Properties

• Appearance: /
• Storage Temp.: Refrigerator
• Solubility: DMSO (Slightly), Methanol (Slightly)
• CAS DataBase Reference: (αE)-α-(MethoxyiMino)-2-[(2-Methylphenoxy)Methyl]benzeneacetic Acid(CAS DataBase Reference)
• NIST Chemistry Reference: (αE)-α-(MethoxyiMino)-2-[(2-Methylphenoxy)Methyl]benzeneacetic Acid(1007364-30-8)
• EPA Substance Registry System: (αE)-α-(MethoxyiMino)-2-[(2-Methylphenoxy)Methyl]benzeneacetic Acid(1007364-30-8)

Safety Data

• Hazardous Substances Data: 1007364-30-8(Hazardous Substances Data)

Usage

Description

(αE)-α-(MethoxyiMino)-2-[(2-Methylphenoxy)Methyl]benzeneacetic Acid is a complex organic compound with a unique chemical structure. It is characterized by its methoxyimino group, a benzene ring with a methylphenoxymethyl substituent, and a carboxylic acid functional group. This molecule is known for its role as a metabolite in the degradation process of Kresoxim-methyl, an agricultural fungicide.

Uses

Used in Agricultural Industry:
(αE)-α-(MethoxyiMino)-2-[(2-Methylphenoxy)Methyl]benzeneacetic Acid is used as a metabolite in the degradation process of Kresoxim-methyl (K659000), an agricultural fungicide. Its presence in the environment is significant for understanding the breakdown and potential impact of this fungicide on soil, plants, and the ecosystem.
Used in Environmental Research:
As a metabolite of Kresoxim-methyl, (αE)-α-(MethoxyiMino)-2-[(2-Methylphenoxy)Methyl]benzeneacetic Acid is used in environmental research to study the fate and transport of the parent compound in the environment. This information is crucial for assessing the potential risks associated with the use of Kresoxim-methyl as a fungicide and for developing strategies to minimize its environmental impact.
Used in Analytical Chemistry:
The unique chemical structure of (αE)-α-(MethoxyiMino)-2-[(2-Methylphenoxy)Methyl]benzeneacetic Acid makes it a valuable compound for analytical chemistry applications. It can be used as a reference material or a standard for the development and validation of analytical methods, such as chromatography and mass spectrometry, for the detection and quantification of Kresoxim-methyl and its metabolites in environmental samples.
Used in Toxicology Studies:
Understanding the toxicity and potential health effects of (αE)-α-(MethoxyiMino)-2-[(2-Methylphenoxy)Methyl]benzeneacetic Acid is essential for evaluating the safety of Kresoxim-methyl as a fungicide. (αE)-α-(MethoxyiMino)-2-[(2-Methylphenoxy)Methyl]benzeneacetic Acid can be used in toxicology studies to investigate its potential adverse effects on human health and the environment, which can inform regulatory decisions and guidelines for the use of Kresoxim-methyl in agriculture.

Upstream product

• 143390-89-0 methyl (E)-2-methoxyimino-2-[2-(o-tolyloxymethyl)phenyl]acetate 
• 143211-10-3 2-oxo-2-(((o-tolyl)oxymethyl)phenyl)acetic acid methyl ester 
• 143211-11-4 2-[(2-methylphenoxy)methyl]benzoyl cyanide 
• 143211-21-6 2-[(2-methylphenoxy)methyl]benzoyl chloride 
• 108475-90-7 2-[(2-methylphenoxy)methyl]benzoic acid 
• 593-56-6 N-methoxylamine hydrochloride 

Downstream Products

• 1007364-35-3 (E)-5,8-dioxo-4-(2-(o-tolyloxymethyl)phenyl)-2-oxa-3,6,9-triazatridec-3-en-13-oic acid 
• 1007364-32-0 (E)-4-(2-methoxyimino-2-[2-(o-tolyloxymethyl)phenyl]acetamido)butanoic acid 
• 1007364-31-9 (E)-4-(2-methoxyimino-2-[2-(o-tolyloxymethyl)phenyl]acetamido)hexanoic acid 

Relevant articles and documents

Structure-immunogenicity relationship of kresoxim-methyl regioisomeric haptens

Kresoxim-methyl was one of the two first strobilurins to be discovered, and nowadays it is widely used as an antifungal agent in crop protection. Because of its low molecular weight and negligible structural complexity, the generation of antibodies to kresoxim-methyl noticeably requires the preparation of functionalized haptens. In this study, the introduction of a hydrocarbon spacer arm at the aromatic moieties of the target molecule was carried out by a convergent strategy based on the Sonogashira cross-coupling reaction, and functionalized linkers of the same length were also tethered to the aliphatic toxophore group by the O-alkylation reaction. Evaluation of the immune response, in terms of antibody affinity, showed a differential behavior among five synthesized haptens whose sole dissimilarity was the derivatization site. The characteristic (methoxyimino)acetate moiety of strobilurins was revealed as the optimum linker position for high-affinity polyclonal and monoclonal antibody production. However, good monoclonal antibodies were isolated from mice immunized with a hapten carrying the linker at an opposite site, which otherwise generated a poor polyclonal response in rabbits. Site-heterology was confirmed as a feasible approach for the improvement of the apparent affinity, particularly with polyclonal antibodies. Several of the monoclonal antibodies generated in the context of this project could be proper binders for kresoxim-methyl immunosensing over different analytical platforms.

Identification and synthesis of major impurities formed during the synthesis of trifloxystrobin and kresoxim-methyl fungicides

During process development of Trifloxystrobin and Kresoxim-methyl fungicides, two impurities were identified. These impurities were isolated and characterized using LCMS, IR, 1H NMR, 13C NMR and elemental analysis. Structures of the

Hapten synthesis and monoclonal antibody-based immunoassay development for the detection of the fungicide kresoxim-methyl

Strobilurin fungicides have been increasingly used for fungus pest control since they were introduced in 1996. For pesticide residue detection, immunoassays constitute nowadays a valuable approach. This paper describes the synthesis of functionalized haptens of kresoxim-methyl, the production of monoclonal antibodies, and the development of enzyme-linked immunosorbent assays. On the one hand, a two-step conjugate-coated immunoassay was optimized using extended or short incubation times, with limits of detection of 0.4 ng/mL for the extended assay and 0.3 ng/mL for the rapid assay. On the other hand, an immunoassay was optimized following a procedure consisting of just one incubation step. This one-step assay had a limit of detection of 0.4 ng/mL. All of these assays showed a similar performance, with sensitivities well below common maximum residue limits for this pesticide (50 μg/kg) and lower than the detection limits of the usual chromatographic detection methods.