ChemicalBook > CAS DataBase List > 1-(5-Methyl-3-Isoxazolyl)Ethanone

1-(5-Methyl-3-Isoxazolyl)Ethanone

Uses

Product Name: 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
Formula Weight: 125.13
MOL File: 24068-54-0.mol

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1-(5-Methyl-3-Isoxazolyl)Ethanone Property

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

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Hazard and Precautionary Statements (GHS)

Symbol(GHS)

Signal word

Warning

Hazard statements

H302Harmful if swallowed

H315Causes skin irritation

H319Causes serious eye irritation

H335May cause respiratory irritation

Precautionary statements

P261Avoid breathing dust/fume/gas/mist/vapours/spray.

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

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N-Bromosuccinimide Price

TRC

Product number: M328033
Product name: 1-(5-Methylisoxazol-3-yl)ethanone
Packaging: 10mg
Price: $45
Updated: 2021/12/16

AK Scientific

Product number: 1733AB
Product name: 1-(5-Methylisoxazol-3-yl)ethanone
Packaging: 25g
Price: $3097
Updated: 2021/12/16

AK Scientific

Product number: 1733AB
Product name: 1-(5-Methylisoxazol-3-yl)ethanone
Packaging: 250mg
Price: $181
Updated: 2021/12/16

American Custom Chemicals Corporation

Product number: CHM0099579
Product name: 1-(5-METHYLISOXAZOL-3-YL)ETHANONE
Purity: 95.00%
Packaging: 5MG
Price: $504.12
Updated: 2021/12/16

Chemenu

Product number: CM124621
Product name: 1-(5-methylisoxazol-3-yl)ethan-1-one
Purity: 98%
Packaging: 5g
Price: $632
Updated: 2021/12/16

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1-(5-Methyl-3-Isoxazolyl)Ethanone Chemical Properties,Usage,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

Preparation Products

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24068-54-0, 1-(5-Methyl-3-Isoxazolyl)EthanoneRelated Search:

1-(5-Methyl-3-Isoxazolyl)Ethanone

Ethanone, 1-(5-methyl-3-isoxazolyl)-

3-acetyl-5-Methylisoxazole

3-acetyl-5-Methyl-isoxazole

5-Methyl-3-acetylisoxazol

5-Methyl-3-acetyl-isoxazol

1-(5-methyl-1,2-oxazol-3-yl)ethanone

1-(5-methyl-1,2-oxazol-3-yl)ethan-1-one

24068-54-0