Lot numbers can be found on the outside label of a product:
1-(5-Methylisoxazol-3-yl)ethanone
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CAS No. 24068-54-0
- Cat. No. CS-W007034
- Purity≥98%
- MDL No.MFCD11847446
*For research and further manufacturing use only, not for direct human use.
Structure of 24068-54-0
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General Information
- CAS No. 24068-54-0
- Cat. No. CS-W007034
- Purity ≥98%
- MDL No. MFCD11847446
- Storage Store at room temperature
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₆H₇NO₂
- Molecular Weight 125.13
- Synonym(s) 1-(5-Methyl-3-Isoxazolyl)Ethanone
- SMILES CC(=O)C1=NOC(C)=C1
Description
1-(5-Methylisoxazol-3-yl)ethanone features a methyl-substituted isoxazole ring fused to an acetyl group, delivering enhanced stability and solubility in polar organic solvents. This scaffold serves as a key building block in medicinal chemistry, enabling efficient incorporation into bioactive molecules through nucleophilic substitution and coupling reactions under standard conditions.
Application
1-(5-Methylisoxazol-3-yl)ethanone serves as a versatile building block in medicinal chemistry, enabling the synthesis of bioactive heterocycles through standard functional group transformations. Its isoxazole core exhibits robust bench stability and compatibility with common coupling reactions, facilitating efficient access to diverse scaffolds. The ketone functionality allows for nucleophilic addition and reductive derivatization, supporting downstream modifications in API development workflows.
Synthesis
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Route1
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In-stock
110-13-4 - ~70%
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In-stock
24068-54-0
References
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Genentech, Inc. Patent: US2012/214762 A1, 2012 ; Location in patent: Page/Page column 102 ;
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Route2
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557-93-7 -
78335-65-6
- ~24%
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In-stock
24068-54-0
References
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Amici, Marco De; Micheli, Carlo De; Carrea, Giacomo; Spezia, Sandro Journal of Organic Chemistry, 1989 , vol. 54, # 11 p. 2646 - 2650
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Route3
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15441-67-5
- ~%
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In-stock
24068-54-0
References
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Sauers, Ronald R.; Van Arnum, Susan D. Synthetic Communications, 2005 , vol. 35, # 15 p. 2033 - 2038
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Safety Information
Download SDS|
GHS Pictogram :
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GHS No : GHS07
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Signal Word : Warning
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UN#: N/A
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Class : N/A
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Packing Group : N/A
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Hazard Statements : H302-H315-H319-H335
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Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
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Quality Control
Computational Chemistry Data
- TPSA 43.1
- LogP 1.18562
- H_Acceptors 3
- H_Donors 0
- Rotatable_Bonds 1
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Key Words
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