Description

Methyl (E)-2-[2-(chloromethyl)phenyl]-3-methoxyprop-2-enoate (CAS No. 117428-51-0) is a high-purity organic compound with the molecular formula C₁₂H₁₃ClO₃. This specialized ester features a chloromethylphenyl group and a methoxyacrylate moiety, making it a valuable intermediate in synthetic organic chemistry and pharmaceutical research. The compound is supplied as a stable solid or liquid (depending on storage conditions) with ≥95% purity (HPLC/GC), ensuring consistency for demanding applications. Its unique structure enables use in cross-coupling reactions, polymer synthesis, and as a precursor for bioactive molecules. Proper storage at 2-8°C under inert atmosphere is recommended to maintain stability. Available in research quantities (100mg to 10kg) with optional custom packaging. MSDS and analytical certificates provided.

Properties

• CAS Number: 117428-51-0
• Complexity: 263
• IUPAC Name: methyl (E)-2-[2-(chloromethyl)phenyl]-3-methoxy-prop-2-enoate
• InChI: InChI=1S/C12H13ClO3/c1-15-8-11(12(14)16-2)10-6-4-3-5-9(10)7-13/h3-6,8H,7H2,1-2H3/b11-8+
• InChI Key: QHBMFLGCOYKWJH-DHZHZOJOSA-N
• Exact Mass: 240.0553220
• Molecular Formula: C12H13ClO3
• Molecular Weight: 240.68
• SMILES: CO/C=C(C1=CC=CC=C1CCl)/C(=O)OC
• Topological: 35.5
• Monoisotopic Mass: 240.0553220
• Synonyms: 117428-51-0, Methyl (alphaE)-2-(chloromethyl)-alpha-(methoxymethylene)benzeneacetate, Methyl (E)-3-methoxy-2-(2-chloromethylphenyl)-2-propenoate, methyl (E)-2-[2-(chloromethyl)phenyl]-3-methoxyprop-2-enoate, (E)-methyl 2-(2-(chloromethyl)phenyl)-3-methoxyacrylate, Benzeneacetic acid, 2-(chloromethyl)-alpha-(methoxymethylene)-, methyl ester, (alphaE)-, 117428-95-2, methyl (Z)-2-[2-(chloromethyl)phenyl]-3-methoxyprop-2-enoate, methyl (2Z)-2-[2-(chloromethyl)phenyl]-3-methoxyprop-2-enoate, SCHEMBL5997796, METHYL (2E)-2-[2-(CHLOROMETHYL)PHENYL]-3-METHOXYPROP-2-ENOATE, DTXSID201175509, AKOS015890092, (E)-methyl2-(2-(chloromethyl)phenyl)-3-methoxyacrylate, Methyl (I+/-E)-2-(chloromethyl)-I+/–(methoxymethylene)benzeneacetate

Application

This compound serves as a key building block in the synthesis of complex organic molecules, particularly in pharmaceutical intermediates where the chloromethyl group enables further functionalization. Researchers utilize it in Heck-type coupling reactions due to the reactive α,β-unsaturated ester system. The methoxy and chloromethyl substituents make it valuable for creating chiral centers in asymmetric synthesis. It’s also investigated as a monomer precursor for specialty polymers with unique electronic properties.

Safety and Hazards

GHS Hazard Statements

• H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
• H319 (100%): 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. 1 (100%)
• Eye Irrit. 2 (100%)
• Aquatic Chronic 2 (100%)

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Disclaimer: Sold exclusively for laboratory research. Prohibited for commercial use, diagnostics, or human/animal applications. Buyers assume all compliance liability.