2-(5-Methylisoxazol-3-yl)but-3-yn-2-ol

Product Name: 2-(5-Methylisoxazol-3-yl)but-3-yn-2-ol
CAS No.: 1202769-66-1
Chemical Name: 2-(5-Methylisoxazol-3-yl)but-3-yn-2-ol
Synonyms: 2-(5-Methylisoxazol-3-yl)but-3-yn-2-ol;2-(5-Methyl-1,2-Oxazol-3-Yl)But-3-Yn-2-Ol;2-(5-Methyl-1,2-oxazol-3-yl)-3-butyn-2-ol;a-Ethynyl-a,5-dimethyl-3-isoxazolemethanol;3-Isoxazolemethanol, α-ethynyl-α,5-dimethyl-
CBNumber: CB42659686
Molecular Formula: C8H9NO2
Formula Weight: 151.16
MOL File: 1202769-66-1.mol

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2-(5-Methylisoxazol-3-yl)but-3-yn-2-ol Property

Boiling point:: 256.1±35.0 °C(Predicted)
Density: 1.165±0.06 g/cm3(Predicted)
storage temp.: 2-8°C
pka: 11.23±0.29(Predicted)

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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: M221003
Product name: 2-(5-Methyl-1,2-oxazol-3-yl)but-3-yn-2-ol
Packaging: 50mg
Price: $200
Updated: 2021/12/16

Activate Scientific

Product number: AS45517
Product name: 2-(5-Methylisoxazol-3-yl)but-3-yn-2-ol
Purity: 97%
Packaging: 250mg
Price: $272
Updated: 2021/12/16

Activate Scientific

Product number: AS45517
Product name: 2-(5-Methylisoxazol-3-yl)but-3-yn-2-ol
Purity: 97%
Packaging: 1g
Price: $555
Updated: 2021/12/16

Activate Scientific

Product number: AS45517
Product name: 2-(5-Methylisoxazol-3-yl)but-3-yn-2-ol
Purity: 97%
Packaging: 100mg
Price: $152
Updated: 2021/12/16

AK Scientific

Product number: 9557DN
Product name: 2-(5-Methylisoxazol-3-yl)but-3-yn-2-ol
Packaging: 5g
Price: $1266
Updated: 2021/12/16

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2-(5-Methylisoxazol-3-yl)but-3-yn-2-ol Chemical Properties,Usage,Production

Synthesis

24068-54-0

4301-14-8

1202769-66-1

Step 2 - Synthesis of 2-(5-methylisoxazol-3-yl)but-3-yn-2-ol A stirred solution of ethynylmagnesium bromide (0.5 M in THF, 50 mL, 25 mmol) was cooled below 0 °C under nitrogen protection. Subsequently, a tetrahydrofuran (20 mL) solution of 1-(5-methyl-3-isoxazolyl)ethanone (2.5 g, 19.98 mmol) was slowly added dropwise over 5 min. After dropwise addition, the reaction mixture was gradually warmed to room temperature and stirring was continued for 3 hours. Upon completion of the reaction, the reaction was quenched by the addition of saturated ammonium chloride solution (100 mL) and then extracted with ethyl acetate (2 x 100 mL). The organic phases were combined, washed with brine, dried over anhydrous sodium sulfate and concentrated under reduced pressure. The crude product was purified by silica gel column chromatography with the eluent ethyl acetate/petroleum ether (0:1 to 1:4) to afford the target compound 2-(5-methylisoxazol-3-yl)but-3-yn-2-ol (2.3 g, 75%) as a colorless oil. Its 1H NMR (300 MHz, CDCl3) data were as follows: δ 6.12 (s, 1H), 3.47 (s, 1H), 2.63 (s, 1H), 2.42 (s, 3H), 1.86 (s, 3H).

References

[1] Patent: US2012/214762, 2012, A1. Location in patent: Page/Page column 102
[2] Patent: WO2009/158011, 2009, A1. Location in patent: Page/Page column 182
[3] Journal of Medicinal Chemistry, 2017, vol. 60, # 2, p. 627 - 640

2-(5-Methylisoxazol-3-yl)but-3-yn-2-ol Preparation Products And Raw materials

Raw materials

Preparation Products

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