Lot numbers can be found on the outside label of a product:
(3-Methylisoxazol-5-yl)methanol
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CAS No. 14716-89-3
- Cat. No. CS-0047000
- Purity≥96%
- MDL No.MFCD09859210
*For research and further manufacturing use only, not for direct human use.
Structure of 14716-89-3
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General Information
- CAS No. 14716-89-3
- Cat. No. CS-0047000
- Purity ≥96%
- MDL No. MFCD09859210
- Storage 4°C
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₅H₇NO₂
- Molecular Weight 113.11
- Synonym(s) 5-(Hydroxymethyl)-3-methylisoxazole
- SMILES OCC1=CC(C)=NO1
Description
(3-Methylisoxazol-5-yl)methanol features a stable isoxazole core with a pendant hydroxymethyl group, enabling direct functionalization in synthetic workflows. This bench-stable, moisture-tolerant scaffold integrates readily into bioactive molecule design, offering enhanced solubility and metabolic stability in medicinal chemistry applications.
Application
(3-Methylisoxazol-5-yl)methanol serves as a versatile building block for heterocyclic synthesis, enabling efficient access to isoxazole-based scaffolds prevalent in medicinal chemistry. Its hydroxymethyl functionality facilitates direct derivatization via oxidation, etherification, or coupling reactions, while the isoxazole ring exhibits robust bench stability and compatibility with common protecting group strategies. This compound functions effectively in multistep sequences requiring orthogonality and functional group tolerance.
Synthesis
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Route1
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In-stock
4857-42-5 - ~57%
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In-stock
14716-89-3
References
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BIOENERGENIX; MCCALL, John; KELLY, Robert, C.; ROMERO, Donna, L. Patent: WO2014/66795 A1, 2014 ; Location in patent: Paragraph 0175 ;
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Route2
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683-58-9 -
107-19-7
- ~23%
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In-stock
14716-89-3
References
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AVEXA LIMITED Patent: WO2007/124546 A1, 2007 ; Location in patent: Page/Page column 59 ;
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Route3
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107-29-9
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107-19-7
- ~64%
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In-stock
14716-89-3
References
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Al-Busafi, Saleh; Al-Belushi, Muna; Al-Muqbali, Khalid Synthetic Communications, 2010 , vol. 40, # 7 p. 1088 - 1092
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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 : H315-H319-H335
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Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501
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Quality Control
Computational Chemistry Data
- TPSA 46.26
- LogP 0.47532
- H_Acceptors 3
- H_Donors 1
- Rotatable_Bonds 1
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Key Words
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