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Atomfair 5-Methyl-3-phenylisoxazole-4-carboxylic acid C11H9NO3 CAS 1136-45-4

5-Methyl-3-phenylisoxazole-4-carboxylic acid (CAS No. 1136-45-4) is a high-purity organic compound with the molecular formula C11H9NO3. This white to off-white crystalline powder is a versatile isoxazole derivative, widely utilized as a key intermediate in pharmaceutical synthesis and organic research. With a molecular weight of 203.20 g/mol, it offers excellent solubility in common organic solvents such as ethanol, methanol, and dimethyl sulfoxide (DMSO). Our product is rigorously tested to meet >98% purity standards (HPLC) and is supplied with comprehensive analytical documentation including1H NMR,13C NMR, and mass spectrometry data. Ideal for medicinal chemistry applications, this compound is packaged under inert atmosphere to ensure…

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Description

5-Methyl-3-phenylisoxazole-4-carboxylic acid (CAS No. 1136-45-4) is a high-purity organic compound with the molecular formula C11H9NO3. This white to off-white crystalline powder is a versatile isoxazole derivative, widely utilized as a key intermediate in pharmaceutical synthesis and organic research. With a molecular weight of 203.20 g/mol, it offers excellent solubility in common organic solvents such as ethanol, methanol, and dimethyl sulfoxide (DMSO). Our product is rigorously tested to meet >98% purity standards (HPLC) and is supplied with comprehensive analytical documentation including 1H NMR, 13C NMR, and mass spectrometry data. Ideal for medicinal chemistry applications, this compound is packaged under inert atmosphere to ensure stability and long shelf life. Available in quantities from grams to kilograms with custom packaging options.

Properties

  • CAS Number: 1136-45-4
  • Complexity: 238
  • IUPAC Name: 5-methyl-3-phenyl-isoxazole-4-carboxylic acid
  • InChI: InChI=1S/C11H9NO3/c1-7-9(11(13)14)10(12-15-7)8-5-3-2-4-6-8/h2-6H,1H3,(H,13,14)
  • InChI Key: PENHKTNQUJMHIR-UHFFFAOYSA-N
  • Exact Mass: 203.058243149
  • Molecular Formula: C11H9NO3
  • Molecular Weight: 203.19
  • SMILES: CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)O
  • Topological: 63.3
  • Monoisotopic Mass: 203.058243149
  • Synonyms: 5-Methyl-3-phenylisoxazole-4-carboxylic acid, 4-Isoxazolecarboxylic acid, 5-methyl-3-phenyl-, 5-Methyl-3-phenyl-4-isoxazolecarboxylic acid, Pmic acid, 3-Phenyl-5-methylisoxazol-4-carbonsaeure, 3-Phenyl-5-methylisoxazole-4-carboxylic acid, ZL8HD4RP5B, EINECS 214-497-9, NSC 76870, ISOXAZOLE-4-CARBOXYLIC ACID, 5-METHYL-3-PHENYL-, BRN 0164939, UNII-ZL8HD4RP5B, NSC-76870, 3-Phenyl-5-methylisoxazol-4-carbonsaeure [German], DTXSID3061556, 4-27-00-04087 (Beilstein Handbook Reference), OXACILLIN SODIUM MONOHYDRATE IMPURITY C [EP IMPURITY], OXACILLIN SODIUM MONOHYDRATE IMPURITY C (EP IMPURITY), DTXCID5033331, 214-497-9, penhktnqujmhir-uhfffaoysa-n, 1136-45-4, 5-methyl-3-phenyl-1,2-oxazole-4-carboxylic acid, 5-Methyl-3-phenyl-isoxazole-4-carboxylic acid, 5-methyl-3-phenylisoxazole-4-carboxylicacid, 5-Methyl-3-phenylisoxazole-4-carboxylic acid; Oxacillin Related Compound C; Oxacillin Sodium Monohydrate Impurity C; Oxacillin Impurity C, MOK, NSC76870, MFCD00003153, Cambridge id 5229752, 5-METHYL-3-PHENYLISOXAZOLE-4-CARBOXYLIC, CBDivE_008536, SCHEMBL316093, 3-Phenyl-5-methylisoxazol-4-carbonsaeure [German], WLN: T5NOJ C1 DVQ ER, HMS1631N05, HMS3447E18, BBL005244, SBB010075, STK177355, AKOS000120854, 8P-396S, CCG-142813, SDCCGMLS-0065903.P001, 5-methyl-3-phenyl-4-isoxazolecarboxylicacid, DB-041181, 5-methyl-3-phenylisoxazole-4-carboxlic acid, CS-0005891, NS00023693, ST45244474, UPCMLD00X1136-45-4:001, UPCMLD00X1136-45-4:002, 3-phenyl-5-methyl-4-isoxazolecarboxylic acid, 5-Methyl-3-phenylisooxazole-4-carboxylic acid, EN300-20783, AQ-360/40723605, 5-Methyl-3-phenylisoxazole-4-carboxylic acid, 99%, Q27463383, Z104482458

Application

5-Methyl-3-phenylisoxazole-4-carboxylic acid serves as a crucial building block in the synthesis of various bioactive compounds, particularly in the development of anti-inflammatory and antimicrobial agents. Researchers utilize this isoxazole derivative in heterocyclic chemistry to create novel pharmaceutical intermediates. The compound’s unique structure makes it valuable for studying structure-activity relationships in medicinal chemistry programs. It has shown potential applications in the development of COX-2 inhibitors and other enzyme-targeting therapeutics.

Safety and Hazards

GHS Hazard Statements

  • H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

Precautionary Statements

  • P264, P270, P301+P317, P330, and P501

Hazard Classes and Categories

  • Acute Tox. 4 (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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