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Atomfair 5-(3-Phenylprop-2-ynoyl)-1,3-dihydro-2-benzofuran-1,3-dione C17H8O4 CAS 1329658-14-1

5-(3-Phenylprop-2-ynoyl)-1,3-dihydro-2-benzofuran-1,3-dione (CAS No. 1329658-14-1) is a high-purity organic compound with the molecular formula C17H8O4. This specialized chemical features a benzofuran-1,3-dione core functionalized with a 3-phenylprop-2-ynoyl group, making it a valuable intermediate for synthetic organic chemistry and pharmaceutical research. The compound is characterized by its rigid aromatic structure and conjugated system, which may be exploited in the development of novel materials or bioactive molecules. Available in research quantities, this product is supplied with comprehensive analytical data including1H NMR,13C NMR, and HPLC purity reports. Store in a cool, dry place protected from light to maintain stability.

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Description

5-(3-Phenylprop-2-ynoyl)-1,3-dihydro-2-benzofuran-1,3-dione (CAS No. 1329658-14-1) is a high-purity organic compound with the molecular formula C17H8O4. This specialized chemical features a benzofuran-1,3-dione core functionalized with a 3-phenylprop-2-ynoyl group, making it a valuable intermediate for synthetic organic chemistry and pharmaceutical research. The compound is characterized by its rigid aromatic structure and conjugated system, which may be exploited in the development of novel materials or bioactive molecules. Available in research quantities, this product is supplied with comprehensive analytical data including 1H NMR, 13C NMR, and HPLC purity reports. Store in a cool, dry place protected from light to maintain stability.

Properties

  • CAS Number: 1329658-14-1
  • Complexity: 529
  • IUPAC Name: 5-(3-phenylprop-2-ynoyl)isobenzofuran-1,3-dione
  • InChI: InChI=1S/C17H8O4/c18-15(9-6-11-4-2-1-3-5-11)12-7-8-13-14(10-12)17(20)21-16(13)19/h1-5,7-8,10H
  • InChI Key: PIJHMKDKKSQWJW-UHFFFAOYSA-N
  • Exact Mass: 276.04225873
  • Molecular Formula: C17H8O4
  • Molecular Weight: 276.24
  • SMILES: C1=CC=C(C=C1)C#CC(=O)C2=CC3=C(C=C2)C(=O)OC3=O
  • Topological: 60.4
  • Monoisotopic Mass: 276.04225873
  • Synonyms: 5-(3-phenylprop-2-ynoyl)-1,3-dihydro-2-benzofuran-1,3-dione, 935-606-2, 1329658-14-1, 5-(3-Phenylpropioloyl)isobenzofuran-1,3-dione, 5-(1-Oxo-3-phenyl-2-propyn-1-yl)-1,3-isobenzofurandione, SCHEMBL2484619, PIJHMKDKKSQWJW-UHFFFAOYSA-N, DTXSID101338047, DB-185169

Application

This compound serves as a versatile building block in organic synthesis, particularly for the construction of complex heterocyclic systems. Researchers may employ it in the development of pharmaceutical candidates targeting inflammatory pathways or as a precursor for functional materials. Its unique structure makes it suitable for studying charge-transfer complexes in materials science applications. The phenylpropynoyl moiety offers potential for further derivatization through click chemistry or cross-coupling reactions.

Safety and Hazards

GHS Hazard Statements

  • H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]
  • H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
  • H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
  • H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

  • P261, P264, P264+P265, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

  • Skin Irrit. 2 (50%)
  • Skin Sens. 1A (100%)
  • Eye Irrit. 2 (100%)
  • STOT SE 3 (50%)

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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