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Atomfair Methyl (alphaE)-2-(chloromethyl)-alpha-(methoxymethylene)benzeneacetate C12H13ClO3 CAS 117428-51-0

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…

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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%)

If you are interested or have any questions, please contact us at support@atomfair.com

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

Disclaimer

Intended Use & Restrictions

This product is sold exclusively for laboratory research, analytical testing, or non-commercial purposes.

  • Strictly prohibited: Resale, repackaging, or formulation into commercial products.
  • Not approved for human/animal use, diagnostics, or manufacturing (including pharmaceuticals, agrochemicals, or consumer goods).

Patent & Regulatory Compliance

Certain molecules may be protected by active patents or regulatory restrictions.

  • Buyers must independently verify patent status (e.g., via USPTO/EPO/CNIPA) and comply with local laws.
  • Atomfair LLC does not provide legal assurances regarding patent non-infringement or jurisdictional compliance.

Liability Release

By purchasing, the buyer agrees to:

  • Use this product only as permitted by law.
  • Indemnify Atomfair LLC against all claims arising from misuse, patent infringement, or regulatory violations.

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