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Atomfair 4-Ethyl-3-iodo-alpha,alpha-dimethylbenzeneacetic acid C12H15IO2 CAS 1256584-73-2

4-Ethyl-3-iodo-alpha,alpha-dimethylbenzeneacetic acid (CAS No. 1256584-73-2) is a high-purity iodinated aromatic carboxylic acid with the molecular formula C12H15IO2. This compound, also known by its IUPAC name 2-(4-ethyl-3-iodophenyl)-2-methylpropanoic acid , features a unique structural combination of an ethyl-substituted iodobenzene ring and a sterically hindered carboxylic acid group. The presence of both iodine and carboxylic acid moieties makes this compound particularly valuable for pharmaceutical intermediates , organocatalysis , and material science applications . With a molecular weight of 318.15 g/mol, it is supplied as a white to off-white crystalline powder with ≥95% purity (HPLC). Suitable for research and development purposes, this compound is…

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Description

4-Ethyl-3-iodo-alpha,alpha-dimethylbenzeneacetic acid (CAS No. 1256584-73-2) is a high-purity iodinated aromatic carboxylic acid with the molecular formula C12H15IO2. This compound, also known by its IUPAC name 2-(4-ethyl-3-iodophenyl)-2-methylpropanoic acid, features a unique structural combination of an ethyl-substituted iodobenzene ring and a sterically hindered carboxylic acid group. The presence of both iodine and carboxylic acid moieties makes this compound particularly valuable for pharmaceutical intermediates, organocatalysis, and material science applications. With a molecular weight of 318.15 g/mol, it is supplied as a white to off-white crystalline powder with ≥95% purity (HPLC). Suitable for research and development purposes, this compound is packaged under inert gas to ensure stability and shipped with comprehensive analytical data including 1H NMR, 13C NMR, HPLC, and mass spectrometry.

Properties

  • CAS Number: 1256584-73-2
  • Complexity: 238
  • IUPAC Name: 2-(4-ethyl-3-iodo-phenyl)-2-methyl-propanoic acid
  • InChI: InChI=1S/C12H15IO2/c1-4-8-5-6-9(7-10(8)13)12(2,3)11(14)15/h5-7H,4H2,1-3H3,(H,14,15)
  • InChI Key: RUVGXZCQYVEAKQ-UHFFFAOYSA-N
  • Exact Mass: 318.01168
  • Molecular Formula: C12H15IO2
  • Molecular Weight: 318.15
  • SMILES: CCC1=C(C=C(C=C1)C(C)(C)C(=O)O)I
  • Topological: 37.3
  • Monoisotopic Mass: 318.01168
  • Synonyms: 2-(4-ethyl-3-iodophenyl)-2-methylpropanoic acid, 1256584-73-2, DTXSID601252711, 4-Ethyl-3-iodo-alpha,alpha-dimethylbenzeneacetic acid, DTXCID801683495, 812-218-0, MFCD22571222, Alectinib intermediate A, AWK669JXF6, SCHEMBL897783, RUVGXZCQYVEAKQ-UHFFFAOYSA-N, CS-M1475, AKOS030573302, AC-30651, CS-13282, SY275458, DB-103641, F16820, 2-(4-ethyl-3-iodophenyl)-2-methylpropanoicacid, 4-Ethyl-3-iodo-I+/-,I+/–dimethylbenzeneacetic acid

Application

4-Ethyl-3-iodo-alpha,alpha-dimethylbenzeneacetic acid serves as a versatile building block in medicinal chemistry, particularly for the synthesis of iodinated drug candidates targeting thyroid disorders or as radiolabeling precursors. The sterically hindered carboxylic acid group enables its use in asymmetric synthesis as a chiral auxiliary or ligand modifier. Researchers also employ this compound in polymer chemistry to create novel iodinated monomers for specialty materials.

Safety and Hazards

GHS Hazard Statements

  • Not Classified
  • Reported as not meeting GHS hazard criteria by 2 of 2 companies. For more detailed information, please visit ECHA C&L website.

Hazard Classes and Categories

  • Not Classified

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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.

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  • 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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