1-(5-Methyl-3-Isoxazolyl)Ethanone
- CAS No.
- 24068-54-0
- Chemical Name:
- 1-(5-Methyl-3-Isoxazolyl)Ethanone
- Synonyms
- 5-Methyl-3-acetylisoxazol;5-Methyl-3-acetyl-isoxazol;3-acetyl-5-Methylisoxazole;3-acetyl-5-Methyl-isoxazole;1-(5-Methyl-3-Isoxazolyl)Ethanone;Ethanone, 1-(5-methyl-3-isoxazolyl)-;1-(5-methyl-1,2-oxazol-3-yl)ethanone;1-(5-methyl-1,2-oxazol-3-yl)ethan-1-one
- CBNumber:
- CB11449649
- Molecular Formula:
- C6H7NO2
- Molecular Weight:
- 125.13
- MDL Number:
- MFCD11847446
- MOL File:
- 24068-54-0.mol
- MSDS File:
- SDS
| Boiling point | 65-70 °C(Press: 20 Torr) |
|---|---|
| Density | 1.104±0.06 g/cm3(Predicted) |
| storage temp. | Sealed in dry,Room Temperature |
| pka | -5.18±0.50(Predicted) |
| Appearance | Colorless to light yellow Liquid |
| InChI | InChI=1S/C6H7NO2/c1-4-3-6(5(2)8)7-9-4/h3H,1-2H3 |
| InChIKey | KYVXYWKQFCSMHL-UHFFFAOYSA-N |
| SMILES | C(=O)(C1C=C(C)ON=1)C |
SAFETY
Risk and Safety Statements
| Symbol(GHS) |  GHS07 |
|---|---|
| Signal word | Warning |
| Hazard statements | H302-H315-H319-H335 |
| Precautionary statements | P261-P305+P351+P338 |
1-(5-Methyl-3-Isoxazolyl)Ethanone price More Price(32)
| Manufacturer | Product number | Product description | CAS number | Packaging | Price | Updated | Buy |
|---|---|---|---|---|---|---|---|
| Activate Scientific | AS46776 | 1-(5-Methylisoxazol-3-yl)ethanone 98% | 24068-54-0 | 1g | $93 | 2026-06-04 | Buy |
| Activate Scientific | AS46776 | 1-(5-Methylisoxazol-3-yl)ethanone 98% | 24068-54-0 | 5g | $296 | 2026-06-04 | Buy |
| Matrix Scientific | 306649 | 1-(5-Methylisoxazol-3-yl)ethanone | 24068-54-0 | 250.00mg | $36 | 2026-05-19 | Buy |
| Matrix Scientific | 306649 | 1-(5-Methylisoxazol-3-yl)ethanone | 24068-54-0 | 1.00g | $82 | 2026-05-19 | Buy |
| Matrix Scientific | 306649 | 1-(5-Methylisoxazol-3-yl)ethanone | 24068-54-0 | 5.00g | $222 | 2026-05-19 | Buy |
1-(5-Methyl-3-Isoxazolyl)Ethanone Chemical Properties, Uses, Production
Uses
5-Methyl-3-acetylisoxazole is used as a research compound and in organic synthesis, etc.
Synthesis
110-13-4
24068-54-0
Step 1 - Synthesis of 1-(5-methyl-3-isoxazole)ethanone (1-a): sodium nitrite (100 g, 1.44 mol) was dissolved in 50 mL of ethanol to produce ethyl nitrite gas in situ. In another reaction vessel, 400 mL of water was slowly added to 50 mL of concentrated sulfuric acid mixed with 50 mL of ethanol and 400 mL of water. The resulting ethyl nitrite gas was passed into a reaction flask containing 2,5-hexanedione (80 g, 700.88 mmol) and concentrated hydrochloric acid (10 mL). The reaction solution was stirred at 50 °C for 6 hours. After completion of the reaction, it was cooled to room temperature, the reaction mixture was diluted with ether (600 mL) and washed sequentially with saturated sodium carbonate solution (2 x 500 mL) and brine (500 mL). The organic layer was dried over anhydrous sodium sulfate and concentrated under reduced pressure. The crude product was purified by reduced pressure distillation (12 mmHg) and the fraction with a boiling point of 70 °C was collected to give 61 g (69% yield) of 1-(5-methyl-3-isoxazole)ethanone as a colorless liquid.1H NMR (300 MHz, CDCl3) δ 6.36 (s, 1H), 2.63 (s, 3H), 2.49 (s, 3H).
References
[1] Patent: US2012/214762, 2012, A1. Location in patent: Page/Page column 102
[2] Journal of Heterocyclic Chemistry, 2003, vol. 40, # 4, p. 655 - 658
[3] Journal of Medicinal Chemistry, 2017, vol. 60, # 2, p. 627 - 640
[4] Chemische Berichte, 1909, vol. 42, p. 1879
[5] Tetrahedron Letters, 1987, vol. 28, # 47, p. 5797 - 5800
1-(5-Methyl-3-Isoxazolyl)Ethanone Preparation Products And Raw materials
Raw materials
1of2
Preparation Products
| Supplier | Tel | Country | ProdList | Advantage | |
|---|---|---|---|---|---|
| Tianjin Englon Technology Co., LTD | 010-010-1234567 17526513758 | 2062435649@qq.com | China | 97 | 49 |
| Shanghai Ennopharm Co., Ltd. | +86 (21) 6435-5022 | China | 4263 | 65 | |
| Shanghai Aladdin Bio-Chem Technology Co.,LTD | 400-6206333 13167063860 | anhua.mao@aladdin-e.com | China | 29977 | 65 |
| SynAsst Chemical. | 021-60343070 | China | 12731 | 55 | |
| Bide Pharmatech Ltd. | 400-164-7117 18317119277 | product02@bidepharm.com | China | 40000 | 60 |
| Shanghai HuanChuan Industry Co.,Ltd. | 021-61478794 | sales@hcshhai.com | China | 9781 | 50 |
| Shanghai Uchem Inc. | 15618758386 15618758386 | sales3@myuchem.com | China | 1994 | 55 |
| Shanghai Carlow Chemicals Co., Ltd. | 21-33526724 18930996265 | info@carlowchem.com | China | 1820 | 50 |
| Shijiazhuang Sdyano Fine Chemical Co., Ltd. | 0311-89250318 031166536426; | master@sjzsdyn.com | China | 3491 | 58 |
| Shanghai YuanYe Biotechnology Co., Ltd. | 15026964105 | 2881489226@qq.com | China | 89667 | 60 |
