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Atomfair Methyl 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate C12H11NO3 CAS 2065-28-3

Methyl 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate (CAS No. 2065-28-3) is a high-purity heterocyclic compound with the molecular formula C12H11NO3. This specialized chemical is widely utilized in pharmaceutical research, agrochemical development, and organic synthesis due to its versatile isoxazole core structure. The compound features a methyl ester group at the 4-position and a phenyl substituent at the 3-position, making it a valuable intermediate for the preparation of bioactive molecules, including potential drug candidates and advanced materials. Our product is rigorously tested to ensure ≥98% purity (HPLC/GC) and is supplied in sealed, light-resistant packaging to maintain stability. Ideal for medicinal chemistry, combinatorial libraries, and structure-activity relationship…

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Description

Methyl 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate (CAS No. 2065-28-3) is a high-purity heterocyclic compound with the molecular formula C12H11NO3. This specialized chemical is widely utilized in pharmaceutical research, agrochemical development, and organic synthesis due to its versatile isoxazole core structure. The compound features a methyl ester group at the 4-position and a phenyl substituent at the 3-position, making it a valuable intermediate for the preparation of bioactive molecules, including potential drug candidates and advanced materials. Our product is rigorously tested to ensure ≥98% purity (HPLC/GC) and is supplied in sealed, light-resistant packaging to maintain stability. Ideal for medicinal chemistry, combinatorial libraries, and structure-activity relationship (SAR) studies.

Properties

  • CAS Number: 2065-28-3
  • Complexity: 251
  • IUPAC Name: methyl 5-methyl-3-phenyl-isoxazole-4-carboxylate
  • InChI: InChI=1S/C12H11NO3/c1-8-10(12(14)15-2)11(13-16-8)9-6-4-3-5-7-9/h3-7H,1-2H3
  • InChI Key: VJCQAWFSNYNJLG-UHFFFAOYSA-N
  • Exact Mass: 217.07389321
  • Molecular Formula: C12H11NO3
  • Molecular Weight: 217.22
  • SMILES: CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)OC
  • Topological: 52.3
  • Monoisotopic Mass: 217.07389321
  • Solubility: 18.1 [ug/mL]
  • Synonyms: 2065-28-3, methyl 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate, DTXSID20352492, DTXCID90303557, methyl 5-methyl-3-phenyl-4-isoxazolecarboxylate, methyl 5-methyl-3-phenylisoxazole-4-carboxylate, MFCD00119105, CDS1_000675, 5-Methyl-3-phenyl-isoxazole-4-carboxylic acid methyl ester, Maybridge1_002963, MLS000709597, DivK1c_001715, SCHEMBL4683450, CHEMBL1723122, HMS549O15, 4-Isoxazolecarboxylic acid, 5-methyl-3-phenyl-, methyl ester, HMS2706D12, ALBB-020633, BBL007612, SBB095398, STK365545, AKOS000544608, SMR000288064, SY081609, DB-066276, CS-0279483, ST50004811, H36318, 11B-004, Methyl 5-methyl-3-phenyl-isoxazole-4-carboxylate, Z16184592

Methyl 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate serves as a key building block in the synthesis of isoxazole-derived pharmaceuticals and agrochemicals. Researchers employ this compound in palladium-catalyzed cross-coupling reactions to construct complex heterocycles. It is also used in lead optimization studies for central nervous system (CNS) targets due to its blood-brain barrier permeability potential. The ester moiety allows further functionalization via hydrolysis or aminolysis.

Safety and Hazards

GHS Hazard Statements

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

Precautionary Statements

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

Hazard Classes and Categories

  • Skin Irrit. 2 (100%)
  • Eye Irrit. 2 (100%)
  • STOT SE 3 (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.

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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