Description

5-Methoxy-2-methylbenzoxazole (CAS No. 5676-57-3) is a high-purity heterocyclic organic compound with the molecular formula C₉H₉NO₂. This benzoxazole derivative features a methoxy group at the 5-position and a methyl group at the 2-position, making it a valuable intermediate in pharmaceutical and agrochemical research. Its IUPAC name is 5-methoxy-2-methyl-1,3-benzoxazole, and it is characterized by its white to off-white crystalline appearance. Suitable for use in organic synthesis, this compound is rigorously tested for purity and stability, ensuring optimal performance in laboratory applications. Packaged under inert conditions to prevent degradation, it is ideal for researchers requiring precise and reproducible results.

Properties

• CAS Number: 5676-57-3
• Complexity: 163
• IUPAC Name: 5-methoxy-2-methyl-1,3-benzoxazole
• InChI: InChI=1S/C9H9NO2/c1-6-10-8-5-7(11-2)3-4-9(8)12-6/h3-5H,1-2H3
• InChI Key: WCXSVOWHNXWHRT-UHFFFAOYSA-N
• Exact Mass: 163.063328530
• Molecular Formula: C9H9NO2
• Molecular Weight: 163.17
• SMILES: CC1=NC2=C(O1)C=CC(=C2)OC
• Topological: 35.3
• Monoisotopic Mass: 163.063328530
• Synonyms: 5-Methoxy-2-methylbenzoxazole, 5676-57-3, EINECS 227-134-4, DTXSID40205315, DTXCID40127806, 227-134-4, 5-methoxy-2-methyl-1,3-benzoxazole, 5-methoxy-2-methylbenzo[d]oxazole, MFCD00128831, 5-methoxy-2-methyl-benzoxazole, SCHEMBL5228689, 5-methyoxy-2-methyl-benzoxazole, SCHEMBL25288200, AC6374, AKOS006273003, AS-8316, AC-16640, SY130011, DB-072187, NS00033574

Application

5-Methoxy-2-methylbenzoxazole is widely utilized as a key building block in the synthesis of bioactive molecules, particularly in pharmaceutical and agrochemical research. Its benzoxazole core structure is valuable for developing compounds with potential antimicrobial, anti-inflammatory, or antitumor properties. Researchers also employ it in material science for designing fluorescent dyes and optoelectronic materials due to its conjugated system. Additionally, it serves as a precursor in the preparation of more complex heterocyclic frameworks for drug discovery.

Safety and Hazards

GHS Hazard Statements

• H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H318 (100%): Causes serious eye damage [Danger 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, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Acute Tox. 4 (100%)
• Skin Irrit. 2 (100%)
• Eye Dam. 1 (100%)
• STOT SE 3 (100%)

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