Description

Methyl (2E)-2-[2-(chloromethyl)phenyl]-2-methoxyiminoacetate (CAS No. 189813-45-4) is a high-purity synthetic organic compound with the molecular formula C₁₁H₁₂ClNO₃. This specialized ester derivative features a chloromethylphenyl group and a methoxyiminoacetate moiety, making it a valuable intermediate for pharmaceutical and agrochemical research. Its well-defined structure (E-configuration) ensures consistency in reactivity, ideal for controlled synthesis applications. Suitable for use in cross-coupling reactions, nucleophilic substitutions, and as a precursor for bioactive molecules. Packaged under inert conditions to guarantee stability and purity (>95% by HPLC).

Properties

• CAS Number: 189813-45-4
• Complexity: 268
• IUPAC Name: methyl (2E)-2-[2-(chloromethyl)phenyl]-2-methoxyimino-acetate
• InChI: InChI=1S/C11H12ClNO3/c1-15-11(14)10(13-16-2)9-6-4-3-5-8(9)7-12/h3-6H,7H2,1-2H3/b13-10+
• InChI Key: GMZGDMPLWXWBQJ-JLHYYAGUSA-N
• Exact Mass: 241.0505709
• Molecular Formula: C11H12ClNO3
• Molecular Weight: 241.67
• SMILES: COC(=O)/C(=N/OC)/C1=CC=CC=C1CCl
• Topological: 47.9
• Monoisotopic Mass: 241.0505709
• Synonyms: 189813-45-4, methyl(2E)-[2-(chloromethyl)phenyl](methoxyimino)acetate, methyl (2E)-2-[2-(chloromethyl)phenyl]-2-methoxyiminoacetate, Benzeneacetic acid, 2-(chloroMethyl)-alpha-(MethoxyiMino)-, Methyl ester,(alphaE)-, Methyl (2E)-[2-(chloromethyl)phenyl)](methoxyimino)acetate, SCHEMBL3621124, GMZGDMPLWXWBQJ-JLHYYAGUSA-N, DTXSID701019394, (E)-methyl 2-(2-(chloromethyl)phenyl)-2-(methoxyimino)acetate, METHYL 2-(2-(CHLOROMETHYL)PHENYL)-2-(METHOXYIMINO)ACETATE, AKOS040766992, 847027-68-3, Methyl (2E)-(2-(chloromethyl)phenyl)(methoxyimino)acetate, methyl (2E)-2-[2-(chloromethyl)phenyl]-2-methoxyimino-acetate

Application

This compound serves as a key intermediate in the synthesis of advanced agrochemicals, particularly fungicides and insecticides. Researchers utilize it in the development of novel active ingredients targeting crop protection. Its reactive chloromethyl and methoxyimino groups enable efficient derivatization for structure-activity relationship (SAR) studies. Also explored in pharmaceutical research for antimicrobial and anti-inflammatory agent development.

Safety and Hazards

GHS Hazard Statements

• H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
• H319 (99%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H411 (100%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

Precautionary Statements

• P261, P264+P265, P272, P273, P280, P302+P352, P305+P351+P338, P321, P333+P317, P337+P317, P362+P364, P391, and P501

Hazard Classes and Categories

• Skin Sens. 1B (100%)
• Eye Irrit. 2 (99%)
• Aquatic Chronic 2 (100%)

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