Introduction：Basic information about 5-BENZOXAZOLOL, 2-METHYL- CAS 23997-94-6, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
5-BENZOXAZOLOL, 2-METHYL- Basic information
| Product Name: | 5-BENZOXAZOLOL, 2-METHYL- |
| Synonyms: | 5-Hydroxy-2-methylbenzoxazole;5-BENZOXAZOLOL, 2-METHYL-;5-hydroxy-2-methylbenzo[d]oxazole;2-methyl-1,3-benzoxazol-5-ol;2-methylbenzo[d]oxazol-5-ol;5-BENZOXAZOLOL, 2-METHYL- ISO 9001：2015 REACH |
| CAS: | 23997-94-6 |
| MF: | C8H7NO2 |
| MW: | 149.15 |
| EINECS: | |
| Product Categories: | |
| Mol File: | 23997-94-6.mol |
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5-BENZOXAZOLOL, 2-METHYL- Chemical Properties
| Melting point | 164-165 °C |
| Boiling point | 278.7±13.0 °C(Predicted) |
| density | 1.305±0.06 g/cm3(Predicted) |
| storage temp. | Inert atmosphere,Room Temperature |
| form | solid |
| pka | 8.70±0.10(Predicted) |
| Appearance | Light yellow to yellow Solid |
| InChI | 1S/C8H7NO2/c1-5-9-7-4-6(10)2-3-8(7)11-5/h2-4,10H,1H3 |
| InChIKey | VWFUDKCJVNWDPI-UHFFFAOYSA-N |
| SMILES | Cc1nc2cc(O)ccc2o1 |
Safety Information
| Hazard Codes | Xn |
| Risk Statements | 22 |
| WGK Germany | WGK 3 |
| HS Code | 2934999090 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Acute Tox. 4 Oral |
5-BENZOXAZOLOL, 2-METHYL- Usage And Synthesis
| Application | 2-Methylbenzo[d]oxazol-5-ol is a useful research chemical. |
| Synthesis | 24558-42-7 23997-94-6 The general procedure for the synthesis of 5-hydroxy-2-methylbenzoxazole from the compound (CAS: 24558-42-7) was as follows: compound 2 (20.0 g, 119.7 mmol) was dissolved in N,N-dimethylformamide (DMF, 300 mL) and the solution was cooled to 0 °C. Phosphorus oxychloride (POCl3, 20 g, 131.6 mmol) was slowly added dropwise while keeping the internal temperature below 10 °C. After the dropwise addition, the reaction mixture was continued to be stirred at 0°C for 1 hour. After completion of the reaction, water (1 L) was added to the reaction mixture and extracted with ethyl acetate (EA, 300 mL x 3). The organic phases were combined and concentrated. The concentrated residue was dissolved in methyl tert-butyl ether (MTBE, 800 mL) and washed with deionized water (200 mL × 3). The organic layer was dried with anhydrous sodium sulfate (Na2SO4), filtered and concentrated. Finally, the residue was washed with a solvent mixture of dichloromethane (DCM) and petroleum ether (PE) (4:1, 250 mL, v/v) to afford compound 3 (13.5 g, 75.6% yield). |
| References | [1] Patent: JP2015/214548, 2015, A. Location in patent: Paragraph 1369; 1371; 1372
[2] Patent: EP2090575, 2009, A1. Location in patent: Page/Page column 50 |
5-BENZOXAZOLOL, 2-METHYL- Preparation Products And Raw materials
| Raw materials | 1-(2,5-Dihydroxyphenyl)ethanone oxime-->N,N-Dimethylformamide-->trichlorophosphate |
