Description

2-(1,2-Benzoxazol-3-yl)acetic acid (CAS No. 4865-84-3) is a high-purity heterocyclic organic compound with the molecular formula C₉H₇NO₃. This compound features a benzoxazole core linked to an acetic acid moiety, making it a valuable intermediate in pharmaceutical and agrochemical research. With a molecular weight of 177.16 g/mol, it is supplied as a fine white to off-white crystalline powder with ≥95% purity (HPLC). Ideal for synthetic applications, it is packaged under inert conditions to ensure stability and longevity. Store in a cool, dry place away from light and moisture to maintain optimal quality. Suitable for researchers and industrial scientists requiring precise chemical building blocks.

Properties

• CAS Number: 4865-84-3
• Complexity: 207
• IUPAC Name: 2-(1,2-benzoxazol-3-yl)acetic acid
• InChI: InChI=1S/C9H7NO3/c11-9(12)5-7-6-3-1-2-4-8(6)13-10-7/h1-4H,5H2,(H,11,12)
• InChI Key: BVSIAYQIMUUCRW-UHFFFAOYSA-N
• Exact Mass: 177.042593085
• Molecular Formula: C9H7NO3
• Molecular Weight: 177.16
• SMILES: C1=CC=C2C(=C1)C(=NO2)CC(=O)O
• Topological: 63.3
• Monoisotopic Mass: 177.042593085
• Synonyms: 2-(1,2-benzoxazol-3-yl)acetic acid, 610-430-6, 4865-84-3, 2-(1,2-Benzisoxazol-3-yl)acetic acid, 1,2-Benzisoxazole-3-acetic Acid, 1,2-benzisoxazol-3-ylacetic acid, benzo[d]isoxazol-3-yl-acetic acid, MFCD02180388, 2-(1,2-Benzoxazol-3-Yl)ethanoic Acid, CHEMBL3792472, 2-(benzo[d]isoxazol-3-yl)acetic acid, 2-benzo[d]isoxazol-3-ylacetic acid, 1,?2-?Benzisoxazol-?3-?ylacetic Acid, 1,2-Benzisoxazole-3-aceticacid, 1,2-benzoxazol-3-ylacetic acid, NVU, NSC179803, (1,2-Benzisoxazol-3-yl)acetic Acid, Maybridge1_005391, Oprea1_695883, SCHEMBL75124, SCHEMBL10916558, HMS556N01, DTXSID80306794, 1,2-benzisoxazol-3yl-acetic acid, BDBM50162495, CCG-44972, SBB053422, 2-benzo[d]isoxazol-3-yl-acetic acid, AKOS001105745, CS-W017376, NSC 179803, NSC-179803, SB37328, SDCCGMLS-0066152.P001, 2-(benzo[d]isoxazol-3-yl)-acetic acid, AC-22758, AC-27285, SY026530, DB-010704, DB-049825, B2912, NS00120548, ST50949653, EN300-14336, AE-508/09521058, 10W-0718, SR-01000634770-1, Q27463958, Z99600464, F2190-0005

Application

2-(1,2-Benzoxazol-3-yl)acetic acid is primarily used as a key intermediate in the synthesis of bioactive molecules, including potential pharmaceuticals and agrochemicals. Its benzoxazole scaffold is of interest in medicinal chemistry for designing enzyme inhibitors and receptor modulators. Researchers also explore its utility in developing fluorescent probes due to its heterocyclic aromatic structure. This compound may serve as a precursor for novel antimicrobial or anti-inflammatory agents.

Safety and Hazards

GHS Hazard Statements

• H302 (97.6%): Harmful if swallowed [Warning Acute toxicity, oral]

Precautionary Statements

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

Hazard Classes and Categories

• Acute Tox. 4 (97.6%)

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